OB3
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O01 | C02 | sing | 1.36Å | 1.36Å | |
C03 | C02 | doub | 1.39Å | 1.35Å | Aromatic |
C03 | C04 | sing | 1.38Å | 1.35Å | Aromatic |
C02 | C01 | sing | 1.39Å | 1.35Å | Aromatic |
C15 | C16 | doub | 1.38Å | 1.35Å | Aromatic |
C15 | C14 | sing | 1.39Å | 1.35Å | Aromatic |
C04 | C05 | doub | 1.40Å | 1.35Å | Aromatic |
C16 | C10 | sing | 1.40Å | 1.35Å | Aromatic |
O02 | C14 | sing | 1.36Å | 1.36Å | |
C01 | C06 | doub | 1.38Å | 1.35Å | Aromatic |
C14 | C13 | doub | 1.39Å | 1.34Å | Aromatic |
C05 | C06 | sing | 1.40Å | 1.35Å | Aromatic |
C05 | C07 | sing | 1.47Å | 1.36Å | |
C24 | C23 | doub | 1.38Å | 1.34Å | Aromatic |
C24 | C25 | sing | 1.38Å | 1.33Å | Aromatic |
C10 | C08 | sing | 1.47Å | 1.35Å | |
C10 | C12 | doub | 1.40Å | 1.35Å | Aromatic |
C07 | C08 | doub | 1.36Å | 1.36Å | |
C07 | C11 | sing | 1.53Å | 1.53Å | |
C23 | C22 | sing | 1.38Å | 1.34Å | Aromatic |
C08 | C09 | sing | 1.53Å | 1.53Å | |
C13 | C12 | sing | 1.38Å | 1.34Å | Aromatic |
O03 | C11 | sing | 1.46Å | 1.41Å | |
O03 | C09 | sing | 1.47Å | 1.41Å | |
C25 | C19 | doub | 1.39Å | 1.36Å | Aromatic |
C11 | C17 | sing | 1.56Å | 1.54Å | |
C09 | C18 | sing | 1.56Å | 1.53Å | |
C22 | C21 | doub | 1.38Å | 1.35Å | Aromatic |
C19 | C21 | sing | 1.39Å | 1.36Å | Aromatic |
C19 | N01 | sing | 1.40Å | 1.29Å | |
C17 | C18 | sing | 1.56Å | 1.55Å | |
C17 | S01 | sing | 1.81Å | 1.86Å | |
C21 | CL1 | sing | 1.74Å | 1.73Å | |
N01 | C20 | sing | 1.47Å | 1.49Å | |
N01 | S01 | sing | 1.66Å | 1.70Å | |
O04 | S01 | doub | 1.42Å | 1.46Å | |
S01 | O05 | doub | 1.42Å | 1.46Å | |
C01 | H1 | sing | 1.08Å | 1.08Å | |
C03 | H2 | sing | 1.08Å | 1.08Å | |
C04 | H3 | sing | 1.08Å | 1.08Å | |
C06 | H4 | sing | 1.08Å | 1.08Å | |
O01 | H5 | sing | 0.97Å | 0.95Å | |
C09 | H6 | sing | 1.09Å | 1.10Å | |
C11 | H7 | sing | 1.09Å | 1.10Å | |
C12 | H8 | sing | 1.08Å | 1.08Å | |
C13 | H9 | sing | 1.08Å | 1.08Å | |
C15 | H10 | sing | 1.08Å | 1.08Å | |
C16 | H11 | sing | 1.08Å | 1.08Å | |
O02 | H12 | sing | 0.97Å | 0.95Å | |
C17 | H13 | sing | 1.09Å | 1.10Å | |
C18 | H14 | sing | 1.09Å | 1.10Å | |
C18 | H15 | sing | 1.09Å | 1.10Å | |
C20 | H16 | sing | 1.09Å | 1.10Å | |
C20 | H17 | sing | 1.09Å | 1.10Å | |
C20 | H18 | sing | 1.09Å | 1.10Å | |
C22 | H19 | sing | 1.08Å | 1.08Å | |
C23 | H20 | sing | 1.08Å | 1.08Å | |
C24 | H21 | sing | 1.08Å | 1.08Å | |
C25 | H22 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O01 | C02 | C03 | 121.0° | 119.9° |
O01 | C02 | C01 | 121.9° | 119.9° |
C02 | O01 | H5 | 109.5° | 113.9° |
C02 | C03 | C04 | 121.3° | 120.1° |
C03 | C02 | C01 | 117.1° | 120.2° |
C02 | C03 | H2 | 119.4° | 120.0° |
C03 | C04 | C05 | 122.5° | 119.9° |
C04 | C03 | H2 | 119.4° | 120.0° |
C03 | C04 | H3 | 118.8° | 120.0° |
C02 | C01 | C06 | 121.2° | 120.1° |
C02 | C01 | H1 | 119.4° | 120.0° |
C16 | C15 | C14 | 121.8° | 120.1° |
C15 | C16 | C10 | 121.6° | 119.9° |
C16 | C15 | H10 | 119.1° | 120.0° |
C15 | C16 | H11 | 119.2° | 120.1° |
C15 | C14 | O02 | 121.3° | 119.9° |
C15 | C14 | C13 | 117.0° | 120.2° |
C14 | C15 | H10 | 119.1° | 120.0° |
C04 | C05 | C06 | 115.5° | 119.8° |
C04 | C05 | C07 | 121.0° | 120.1° |
C05 | C04 | H3 | 118.8° | 120.1° |
C16 | C10 | C08 | 121.8° | 120.1° |
C16 | C10 | C12 | 115.9° | 119.8° |
C10 | C16 | H11 | 119.2° | 120.0° |
O02 | C14 | C13 | 121.8° | 119.9° |
C14 | O02 | H12 | 109.5° | 114.0° |
C01 | C06 | C05 | 122.5° | 119.9° |
C06 | C01 | H1 | 119.4° | 120.0° |
C01 | C06 | H4 | 118.8° | 120.0° |
C14 | C13 | C12 | 121.1° | 120.1° |
C14 | C13 | H9 | 119.4° | 120.0° |
C06 | C05 | C07 | 123.5° | 120.1° |
C05 | C06 | H4 | 118.8° | 120.1° |
C05 | C07 | C08 | 135.7° | 127.0° |
C05 | C07 | C11 | 120.7° | 127.1° |
C23 | C24 | C25 | 120.3° | 120.1° |
C24 | C23 | C22 | 118.3° | 120.2° |
C24 | C23 | H20 | 120.8° | 119.9° |
C23 | C24 | H21 | 119.9° | 120.0° |
C24 | C25 | C19 | 123.4° | 119.9° |
C25 | C24 | H21 | 119.9° | 120.0° |
C24 | C25 | H22 | 118.3° | 120.0° |
C08 | C10 | C12 | 122.3° | 120.1° |
C10 | C08 | C07 | 136.1° | 127.1° |
C10 | C08 | C09 | 119.7° | 127.0° |
C10 | C12 | C13 | 122.6° | 119.9° |
C10 | C12 | H8 | 118.7° | 120.1° |
C08 | C07 | C11 | 103.6° | 106.0° |
C07 | C08 | C09 | 104.2° | 105.9° |
C07 | C11 | O03 | 103.6° | 100.8° |
C07 | C11 | C17 | 105.4° | 105.2° |
C07 | C11 | H7 | 114.1° | 115.6° |
C23 | C22 | C21 | 121.2° | 120.0° |
C23 | C22 | H19 | 119.4° | 120.0° |
C22 | C23 | H20 | 120.9° | 119.9° |
C08 | C09 | O03 | 103.1° | 100.7° |
C08 | C09 | C18 | 109.0° | 105.1° |
C08 | C09 | H6 | 113.6° | 115.6° |
C13 | C12 | H8 | 118.7° | 120.1° |
C12 | C13 | H9 | 119.4° | 119.9° |
C11 | O03 | C09 | 96.1° | 97.2° |
O03 | C11 | C17 | 102.0° | 101.0° |
O03 | C11 | H7 | 116.3° | 116.5° |
O03 | C09 | C18 | 100.7° | 101.1° |
O03 | C09 | H6 | 115.7° | 116.6° |
C25 | C19 | C21 | 115.1° | 119.9° |
C25 | C19 | N01 | 113.3° | 120.1° |
C19 | C25 | H22 | 118.3° | 120.1° |
C11 | C17 | C18 | 100.7° | 101.9° |
C11 | C17 | S01 | 112.9° | 110.9° |
C17 | C11 | H7 | 114.0° | 115.6° |
C11 | C17 | H13 | 109.6° | 111.0° |
C09 | C18 | C17 | 99.7° | 101.8° |
C18 | C09 | H6 | 113.5° | 115.6° |
C09 | C18 | H14 | 111.9° | 110.9° |
C09 | C18 | H15 | 111.9° | 110.9° |
C22 | C21 | C19 | 121.7° | 119.9° |
C22 | C21 | CL1 | 112.2° | 120.0° |
C21 | C22 | H19 | 119.4° | 119.9° |
C21 | C19 | N01 | 131.6° | 120.1° |
C19 | C21 | CL1 | 126.2° | 120.1° |
C19 | N01 | C20 | 119.0° | 120.0° |
C19 | N01 | S01 | 125.7° | 120.0° |
C18 | C17 | S01 | 117.8° | 111.0° |
C18 | C17 | H13 | 109.5° | 110.8° |
C17 | C18 | H14 | 111.8° | 111.2° |
C17 | C18 | H15 | 111.9° | 110.8° |
C17 | S01 | N01 | 105.9° | 104.5° |
C17 | S01 | O04 | 94.2° | 110.6° |
C17 | S01 | O05 | 93.8° | 110.5° |
S01 | C17 | H13 | 106.1° | 110.9° |
C20 | N01 | S01 | 115.3° | 120.0° |
N01 | C20 | H16 | 109.5° | 109.5° |
N01 | C20 | H17 | 109.5° | 109.5° |
N01 | C20 | H18 | 109.5° | 109.5° |
N01 | S01 | O04 | 117.9° | 104.3° |
N01 | S01 | O05 | 116.2° | 104.2° |
O04 | S01 | O05 | 120.3° | 121.0° |
H14 | C18 | H15 | 109.5° | 110.9° |
H16 | C20 | H17 | 109.4° | 109.4° |
H16 | C20 | H18 | 109.5° | 109.5° |
H17 | C20 | H18 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O01 | C02 | C03 | C01 | 179.6° | 179.9° |
O01 | C02 | C03 | C04 | 179.7° | 180.0° |
O01 | C02 | C01 | C06 | 179.8° | 180.0° |
O01 | C02 | C01 | H1 | 0.1° | 0.3° |
O01 | C02 | C03 | H2 | 0.3° | 0.0° |
C02 | C03 | C04 | H2 | 180.0° | 180.0° |
C02 | C03 | C04 | C05 | 0.7° | 0.0° |
C03 | C02 | C01 | C06 | 0.5° | 0.1° |
C03 | C02 | C01 | H1 | 179.5° | 179.7° |
C02 | C03 | C04 | H3 | 179.3° | 180.0° |
C03 | C02 | O01 | H5 | 180.0° | 90.0° |
C04 | C03 | C02 | C01 | 0.1° | 0.0° |
C03 | C04 | C05 | H3 | 180.0° | 180.0° |
C03 | C04 | C05 | C06 | 1.1° | 0.0° |
C03 | C04 | C05 | C07 | 179.8° | 180.0° |
C02 | C01 | C06 | H1 | 180.0° | 179.7° |
C02 | C01 | C06 | C05 | 0.1° | 0.1° |
C01 | C02 | C03 | H2 | 179.9° | 179.9° |
C02 | C01 | C06 | H4 | 179.9° | 179.7° |
C01 | C02 | O01 | H5 | 0.4° | 90.1° |
C16 | C15 | C14 | H10 | 180.0° | 179.5° |
C15 | C16 | C10 | H11 | 180.0° | 179.5° |
C16 | C15 | C14 | O02 | 180.0° | 179.8° |
C16 | C15 | C14 | C13 | 0.3° | 0.3° |
C15 | C16 | C10 | C08 | 178.9° | 179.7° |
C15 | C16 | C10 | C12 | 0.8° | 0.5° |
C14 | C15 | C16 | C10 | 0.6° | 0.5° |
C15 | C14 | O02 | C13 | 179.7° | 179.9° |
C15 | C14 | C13 | C12 | 0.3° | 0.0° |
C15 | C14 | C13 | H9 | 179.7° | 179.9° |
C14 | C15 | C16 | H11 | 179.4° | 180.0° |
C15 | C14 | O02 | H12 | 180.0° | 90.0° |
C04 | C05 | C06 | C01 | 0.7° | 0.0° |
C04 | C05 | C06 | C07 | 178.7° | 179.9° |
C04 | C05 | C07 | C08 | 131.1° | 65.0° |
C04 | C05 | C07 | C11 | 49.4° | 115.2° |
C05 | C04 | C03 | H2 | 179.3° | 180.0° |
C04 | C05 | C06 | H4 | 179.4° | 179.8° |
C16 | C10 | C08 | C12 | 177.9° | 179.8° |
C16 | C10 | C08 | C07 | 36.0° | 115.2° |
C16 | C10 | C08 | C09 | 143.2° | 64.7° |
C16 | C10 | C12 | C13 | 0.9° | 0.2° |
C16 | C10 | C12 | H8 | 179.1° | 179.8° |
C10 | C16 | C15 | H10 | 179.4° | 180.0° |
O02 | C14 | C13 | C12 | 180.0° | 180.0° |
O02 | C14 | C13 | H9 | 0.0° | 0.0° |
O02 | C14 | C15 | H10 | 0.0° | 0.3° |
C01 | C06 | C05 | H4 | 180.0° | 179.8° |
C01 | C06 | C05 | C07 | 179.4° | 179.9° |
C14 | C13 | C12 | C10 | 0.7° | 0.0° |
C14 | C13 | C12 | H9 | 180.0° | 180.0° |
C14 | C13 | C12 | H8 | 179.3° | 180.0° |
C13 | C14 | C15 | H10 | 179.7° | 179.8° |
C13 | C14 | O02 | H12 | 0.3° | 90.0° |
C06 | C05 | C07 | C08 | 50.2° | 115.0° |
C06 | C05 | C07 | C11 | 129.3° | 64.7° |
C05 | C06 | C01 | H1 | 179.9° | 179.7° |
C06 | C05 | C04 | H3 | 179.0° | 179.9° |
C05 | C07 | C08 | C10 | 1.4° | 0.1° |
C05 | C07 | C08 | C11 | 179.5° | 179.8° |
C05 | C07 | C08 | C09 | 179.4° | 180.0° |
C05 | C07 | C11 | O03 | 148.3° | 147.9° |
C05 | C07 | C11 | C17 | 105.0° | 107.4° |
C07 | C05 | C04 | H3 | 0.2° | 0.0° |
C07 | C05 | C06 | H4 | 0.6° | 0.3° |
C05 | C07 | C11 | H7 | 20.8° | 21.4° |
C23 | C24 | C25 | H21 | 180.0° | 179.8° |
C24 | C23 | C22 | H20 | 180.0° | 180.0° |
C23 | C24 | C25 | C19 | 0.1° | 0.5° |
C24 | C23 | C22 | C21 | 0.1° | 0.0° |
C24 | C23 | C22 | H19 | 179.9° | 180.0° |
C23 | C24 | C25 | H22 | 179.9° | 180.0° |
C25 | C24 | C23 | C22 | 0.0° | 0.2° |
C24 | C25 | C19 | H22 | 180.0° | 179.5° |
C24 | C25 | C19 | C21 | 0.0° | 0.5° |
C24 | C25 | C19 | N01 | 179.2° | 179.7° |
C25 | C24 | C23 | H20 | 180.0° | 179.7° |
C10 | C08 | C07 | C09 | 179.3° | 179.9° |
C10 | C08 | C07 | C11 | 179.1° | 179.8° |
C08 | C10 | C12 | C13 | 178.9° | 180.0° |
C10 | C08 | C09 | O03 | 147.1° | 147.9° |
C10 | C08 | C09 | C18 | 106.5° | 107.4° |
C10 | C08 | C09 | H6 | 21.1° | 21.4° |
C08 | C10 | C12 | H8 | 1.0° | 0.0° |
C08 | C10 | C16 | H11 | 1.1° | 0.2° |
C12 | C10 | C08 | C07 | 146.1° | 65.0° |
C12 | C10 | C08 | C09 | 34.7° | 115.0° |
C10 | C12 | C13 | H8 | 180.0° | 180.0° |
C10 | C12 | C13 | H9 | 179.3° | 180.0° |
C12 | C10 | C16 | H11 | 179.2° | 180.0° |
C08 | C07 | C11 | O03 | 32.1° | 31.9° |
C07 | C08 | C09 | O03 | 32.3° | 32.2° |
C08 | C07 | C11 | C17 | 74.7° | 72.8° |
C07 | C08 | C09 | C18 | 74.0° | 72.5° |
C07 | C08 | C09 | H6 | 158.3° | 158.7° |
C08 | C07 | C11 | H7 | 159.5° | 158.4° |
C11 | C07 | C08 | C09 | 0.2° | 0.2° |
C07 | C11 | O03 | C17 | 109.3° | 107.9° |
C07 | C11 | O03 | H7 | 126.0° | 126.0° |
C07 | C11 | O03 | C09 | 50.8° | 50.4° |
C07 | C11 | C17 | H7 | 125.9° | 128.8° |
C07 | C11 | C17 | C18 | 75.9° | 69.5° |
C07 | C11 | C17 | S01 | 157.6° | 172.2° |
C07 | C11 | C17 | H13 | 39.5° | 48.5° |
C23 | C22 | C21 | H19 | 180.0° | 180.0° |
C23 | C22 | C21 | C19 | 0.2° | 0.0° |
C23 | C22 | C21 | CL1 | 180.0° | 180.0° |
C22 | C23 | C24 | H21 | 179.9° | 179.9° |
C08 | C09 | O03 | C11 | 50.7° | 50.4° |
C08 | C09 | O03 | C18 | 112.6° | 107.9° |
C08 | C09 | O03 | H6 | 124.7° | 125.9° |
C08 | C09 | C18 | H6 | 127.7° | 128.8° |
C08 | C09 | C18 | C17 | 67.8° | 69.8° |
C08 | C09 | C18 | H14 | 50.5° | 48.6° |
C08 | C09 | C18 | H15 | 173.8° | 172.2° |
O03 | C11 | C17 | H7 | 126.2° | 126.7° |
C11 | O03 | C09 | C18 | 61.9° | 57.5° |
O03 | C11 | C17 | C18 | 32.0° | 35.0° |
O03 | C11 | C17 | S01 | 94.6° | 83.3° |
C11 | O03 | C09 | H6 | 175.3° | 176.3° |
O03 | C11 | C17 | H13 | 147.4° | 153.0° |
C09 | O03 | C11 | C17 | 58.5° | 57.6° |
O03 | C09 | C18 | H6 | 124.3° | 126.8° |
O03 | C09 | C18 | C17 | 40.2° | 34.5° |
C09 | O03 | C11 | H7 | 176.8° | 176.3° |
O03 | C09 | C18 | H14 | 158.5° | 152.9° |
O03 | C09 | C18 | H15 | 78.2° | 83.4° |
C25 | C19 | C21 | C22 | 0.1° | 0.2° |
C25 | C19 | C21 | N01 | 179.0° | 179.8° |
C25 | C19 | C21 | CL1 | 179.9° | 179.8° |
C25 | C19 | N01 | C20 | 64.7° | 84.8° |
C25 | C19 | N01 | S01 | 114.3° | 95.3° |
C19 | C25 | C24 | H21 | 179.9° | 179.7° |
C11 | C17 | C18 | C09 | 4.7° | 0.3° |
C11 | C17 | C18 | S01 | 123.2° | 118.2° |
C11 | C17 | C18 | H13 | 115.4° | 118.1° |
C11 | C17 | S01 | H13 | 120.1° | 123.8° |
C11 | C17 | S01 | N01 | 59.7° | 175.0° |
C11 | C17 | S01 | O04 | 60.9° | 63.3° |
C11 | C17 | S01 | O05 | 178.3° | 73.4° |
C11 | C17 | C18 | H14 | 123.1° | 117.9° |
C11 | C17 | C18 | H15 | 113.7° | 118.2° |
C09 | C18 | C17 | H14 | 118.4° | 118.2° |
C09 | C18 | C17 | H15 | 118.4° | 118.0° |
C09 | C18 | C17 | S01 | 127.9° | 118.0° |
C09 | C18 | C17 | H13 | 110.7° | 118.4° |
C09 | C18 | H14 | H15 | 124.6° | 123.7° |
C22 | C21 | C19 | CL1 | 179.8° | 180.0° |
C22 | C21 | C19 | N01 | 179.2° | 180.0° |
C21 | C22 | C23 | H20 | 179.9° | 180.0° |
C21 | C19 | N01 | C20 | 114.3° | 95.0° |
C21 | C19 | N01 | S01 | 66.6° | 85.0° |
C19 | C21 | C22 | H19 | 179.8° | 180.0° |
C21 | C19 | C25 | H22 | 180.0° | 180.0° |
C19 | N01 | S01 | C17 | 110.5° | 89.9° |
N01 | C19 | C21 | CL1 | 1.0° | 0.0° |
C19 | N01 | C20 | S01 | 179.1° | 180.0° |
C19 | N01 | S01 | O04 | 6.7° | 153.9° |
C19 | N01 | S01 | O05 | 147.0° | 26.1° |
C19 | N01 | C20 | H16 | 180.0° | 90.0° |
C19 | N01 | C20 | H17 | 60.0° | 30.0° |
C19 | N01 | C20 | H18 | 60.0° | 150.0° |
N01 | C19 | C25 | H22 | 0.8° | 0.2° |
C18 | C17 | S01 | H13 | 123.1° | 123.6° |
C18 | C17 | S01 | N01 | 176.5° | 62.4° |
C18 | C17 | S01 | O04 | 55.9° | 49.3° |
C18 | C17 | S01 | O05 | 64.9° | 174.0° |
C17 | C18 | C09 | H6 | 164.5° | 161.4° |
C18 | C17 | C11 | H7 | 158.2° | 161.7° |
C17 | C18 | H14 | H15 | 124.6° | 123.8° |
C17 | S01 | N01 | C20 | 68.6° | 90.0° |
C17 | S01 | N01 | O04 | 103.7° | 116.1° |
C17 | S01 | N01 | O05 | 102.5° | 116.0° |
C17 | S01 | O04 | O05 | 96.9° | 131.5° |
S01 | C17 | C11 | H7 | 31.7° | 43.4° |
S01 | C17 | C18 | H14 | 113.7° | 123.9° |
S01 | C17 | C18 | H15 | 9.5° | 0.0° |
CL1 | C21 | C22 | H19 | 0.0° | 0.0° |
C20 | N01 | S01 | O04 | 172.3° | 26.1° |
C20 | N01 | S01 | O05 | 33.9° | 153.9° |
N01 | C20 | H16 | H17 | 120.0° | 120.0° |
N01 | C20 | H16 | H18 | 120.0° | 120.1° |
N01 | C20 | H17 | H18 | 120.0° | 120.0° |
N01 | S01 | O04 | O05 | 152.6° | 116.7° |
N01 | S01 | C17 | H13 | 60.4° | 61.2° |
S01 | N01 | C20 | H16 | 0.9° | 90.0° |
S01 | N01 | C20 | H17 | 120.9° | 150.0° |
S01 | N01 | C20 | H18 | 119.2° | 30.0° |
O04 | S01 | C17 | H13 | 179.0° | 172.9° |
O05 | S01 | C17 | H13 | 58.2° | 50.4° |
H1 | C01 | C06 | H4 | 0.1° | 0.0° |
H2 | C03 | C04 | H3 | 0.7° | 0.0° |
H6 | C09 | C18 | H14 | 77.2° | 80.2° |
H6 | C09 | C18 | H15 | 46.1° | 43.4° |
H7 | C11 | C17 | H13 | 86.4° | 80.3° |
H8 | C12 | C13 | H9 | 0.7° | 0.0° |
H10 | C15 | C16 | H11 | 0.6° | 0.5° |
H13 | C17 | C18 | H14 | 7.7° | 0.2° |
H13 | C17 | C18 | H15 | 130.9° | 123.6° |
H16 | C20 | H17 | H18 | 120.0° | 120.0° |
H19 | C22 | C23 | H20 | 0.1° | 0.0° |
H20 | C23 | C24 | H21 | 0.0° | 0.1° |
H21 | C24 | C25 | H22 | 0.1° | 0.2° |