P4C
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1 | C2 | sing | 1.43Å | 1.43Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | C3 | sing | 1.53Å | 1.44Å | |
C2 | H21A | sing | 1.09Å | 1.12Å | |
C2 | H22 | sing | 1.09Å | 1.11Å | |
C3 | O4 | sing | 1.43Å | 1.56Å | |
C3 | H31 | sing | 1.09Å | 1.11Å | |
C3 | H32 | sing | 1.09Å | 1.12Å | |
O4 | C5 | sing | 1.43Å | 1.43Å | |
C5 | C6 | sing | 1.53Å | 1.42Å | |
C5 | H51 | sing | 1.09Å | 1.11Å | |
C5 | H52 | sing | 1.09Å | 1.12Å | |
C6 | O7 | sing | 1.43Å | 1.53Å | |
C6 | H61 | sing | 1.09Å | 1.12Å | |
C6 | H62 | sing | 1.09Å | 1.11Å | |
O7 | C8 | sing | 1.43Å | 1.43Å | |
C8 | C9 | sing | 1.53Å | 1.47Å | |
C8 | H81 | sing | 1.09Å | 1.11Å | |
C8 | H82 | sing | 1.09Å | 1.12Å | |
C9 | O10 | sing | 1.43Å | 1.60Å | |
C9 | H91 | sing | 1.09Å | 1.11Å | |
C9 | H92 | sing | 1.09Å | 1.11Å | |
O10 | C11 | sing | 1.43Å | 1.44Å | |
C11 | C12 | sing | 1.53Å | 1.44Å | |
C11 | H111 | sing | 1.09Å | 1.12Å | |
C11 | H112 | sing | 1.09Å | 1.11Å | |
C12 | O13 | sing | 1.43Å | 1.57Å | |
C12 | H121 | sing | 1.09Å | 1.11Å | |
C12 | H122 | sing | 1.09Å | 1.11Å | |
O13 | C14 | sing | 1.43Å | 1.44Å | |
C14 | C15 | sing | 1.53Å | 1.42Å | |
C14 | H141 | sing | 1.09Å | 1.11Å | |
C14 | H142 | sing | 1.09Å | 1.12Å | |
C15 | O16 | sing | 1.43Å | 1.56Å | |
C15 | H151 | sing | 1.09Å | 1.11Å | |
C15 | H152 | sing | 1.09Å | 1.12Å | |
O16 | C17 | sing | 1.43Å | 1.43Å | |
C17 | C18 | sing | 1.53Å | 1.43Å | |
C17 | H171 | sing | 1.09Å | 1.11Å | |
C17 | H172 | sing | 1.09Å | 1.11Å | |
C18 | O19 | sing | 1.43Å | 1.58Å | |
C18 | H181 | sing | 1.09Å | 1.11Å | |
C18 | H182 | sing | 1.09Å | 1.11Å | |
O19 | C20 | sing | 1.43Å | 1.46Å | |
C20 | C21 | sing | 1.51Å | 1.47Å | |
C20 | H201 | sing | 1.09Å | 1.12Å | |
C20 | H202 | sing | 1.09Å | 1.12Å | |
C21 | O22 | doub | 1.21Å | 0.90Å | |
C21 | H21 | sing | 1.08Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | O1 | HO1 | 131.1° | 106.8° |
O1 | C2 | C3 | 131.1° | 109.5° |
O1 | C2 | H21A | 104.7° | 109.4° |
O1 | C2 | H22 | 104.8° | 109.4° |
C3 | C2 | H21A | 104.7° | 109.5° |
C3 | C2 | H22 | 104.7° | 109.5° |
C2 | C3 | O4 | 114.8° | 109.5° |
C2 | C3 | H31 | 110.3° | 109.4° |
C2 | C3 | H32 | 110.3° | 109.5° |
H21A | C2 | H22 | 104.2° | 109.5° |
O4 | C3 | H31 | 110.3° | 109.5° |
O4 | C3 | H32 | 110.3° | 109.5° |
C3 | O4 | C5 | 113.7° | 106.8° |
H31 | C3 | H32 | 100.0° | 109.5° |
O4 | C5 | C6 | 105.9° | 109.5° |
O4 | C5 | H51 | 113.6° | 109.5° |
O4 | C5 | H52 | 113.6° | 109.5° |
C6 | C5 | H51 | 113.5° | 109.4° |
C6 | C5 | H52 | 113.5° | 109.5° |
C5 | C6 | O7 | 116.9° | 109.5° |
C5 | C6 | H61 | 109.5° | 109.4° |
C5 | C6 | H62 | 109.5° | 109.4° |
H51 | C5 | H52 | 96.9° | 109.5° |
O7 | C6 | H61 | 109.5° | 109.5° |
O7 | C6 | H62 | 109.5° | 109.5° |
C6 | O7 | C8 | 112.4° | 106.8° |
H61 | C6 | H62 | 100.7° | 109.5° |
O7 | C8 | C9 | 110.2° | 109.5° |
O7 | C8 | H81 | 112.0° | 109.5° |
O7 | C8 | H82 | 111.9° | 109.4° |
C9 | C8 | H81 | 111.9° | 109.5° |
C9 | C8 | H82 | 111.9° | 109.4° |
C8 | C9 | O10 | 115.3° | 109.5° |
C8 | C9 | H91 | 110.1° | 109.5° |
C8 | C9 | H92 | 110.1° | 109.5° |
H81 | C8 | H82 | 98.5° | 109.5° |
O10 | C9 | H91 | 110.1° | 109.5° |
O10 | C9 | H92 | 110.1° | 109.4° |
C9 | O10 | C11 | 116.9° | 106.8° |
H91 | C9 | H92 | 100.2° | 109.5° |
O10 | C11 | C12 | 109.8° | 109.5° |
O10 | C11 | H111 | 112.1° | 109.4° |
O10 | C11 | H112 | 112.1° | 109.5° |
C12 | C11 | H111 | 112.1° | 109.5° |
C12 | C11 | H112 | 112.1° | 109.5° |
C11 | C12 | O13 | 116.8° | 109.5° |
C11 | C12 | H121 | 109.6° | 109.5° |
C11 | C12 | H122 | 109.5° | 109.5° |
H111 | C11 | H112 | 98.3° | 109.4° |
O13 | C12 | H121 | 109.5° | 109.5° |
O13 | C12 | H122 | 109.5° | 109.4° |
C12 | O13 | C14 | 116.1° | 106.8° |
H121 | C12 | H122 | 100.6° | 109.5° |
O13 | C14 | C15 | 109.5° | 109.5° |
O13 | C14 | H141 | 112.2° | 109.4° |
O13 | C14 | H142 | 112.2° | 109.4° |
C15 | C14 | H141 | 112.2° | 109.5° |
C15 | C14 | H142 | 112.2° | 109.5° |
C14 | C15 | O16 | 112.7° | 109.5° |
C14 | C15 | H151 | 111.0° | 109.6° |
C14 | C15 | H152 | 111.0° | 109.4° |
H141 | C14 | H142 | 98.2° | 109.5° |
O16 | C15 | H151 | 111.0° | 109.5° |
O16 | C15 | H152 | 111.0° | 109.4° |
C15 | O16 | C17 | 115.4° | 106.8° |
H151 | C15 | H152 | 99.3° | 109.4° |
O16 | C17 | C18 | 108.8° | 109.4° |
O16 | C17 | H171 | 112.4° | 109.4° |
O16 | C17 | H172 | 112.4° | 109.4° |
C18 | C17 | H171 | 112.5° | 109.5° |
C18 | C17 | H172 | 112.5° | 109.5° |
C17 | C18 | O19 | 112.7° | 109.5° |
C17 | C18 | H181 | 111.0° | 109.4° |
C17 | C18 | H182 | 111.0° | 109.5° |
H171 | C17 | H172 | 98.0° | 109.5° |
O19 | C18 | H181 | 111.0° | 109.5° |
O19 | C18 | H182 | 111.0° | 109.5° |
C18 | O19 | C20 | 115.2° | 106.8° |
H181 | C18 | H182 | 99.4° | 109.5° |
O19 | C20 | C21 | 116.6° | 109.5° |
O19 | C20 | H201 | 109.6° | 109.5° |
O19 | C20 | H202 | 109.6° | 109.4° |
C21 | C20 | H201 | 109.6° | 109.4° |
C21 | C20 | H202 | 109.6° | 109.4° |
C20 | C21 | O22 | 120.3° | 120.0° |
C20 | C21 | H21 | 142.7° | 119.9° |
H201 | C20 | H202 | 100.5° | 109.5° |
O22 | C21 | H21 | 97.0° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | C2 | C3 | H21A | 125.3° | 119.9° |
O1 | C2 | C3 | H22 | 125.3° | 120.0° |
O1 | C2 | H21A | H22 | 109.8° | 120.0° |
O1 | C2 | C3 | O4 | 155.6° | 60.0° |
O1 | C2 | C3 | H31 | 30.3° | 180.0° |
O1 | C2 | C3 | H32 | 79.2° | 60.1° |
HO1 | O1 | C2 | C3 | 180.0° | 180.0° |
HO1 | O1 | C2 | H21A | 54.7° | 60.0° |
HO1 | O1 | C2 | H22 | 54.7° | 60.0° |
C3 | C2 | H21A | H22 | 109.7° | 120.0° |
C2 | C3 | O4 | H31 | 125.3° | 120.0° |
C2 | C3 | O4 | H32 | 125.2° | 120.0° |
C2 | C3 | H31 | H32 | 116.1° | 120.0° |
C2 | C3 | O4 | C5 | 118.6° | 180.0° |
H21A | C2 | C3 | O4 | 79.1° | 60.0° |
H21A | C2 | C3 | H31 | 155.6° | 60.0° |
H21A | C2 | C3 | H32 | 46.1° | 180.0° |
H22 | C2 | C3 | O4 | 30.3° | 180.0° |
H22 | C2 | C3 | H31 | 95.0° | 60.0° |
H22 | C2 | C3 | H32 | 155.5° | 60.0° |
O4 | C3 | H31 | H32 | 116.1° | 120.0° |
C3 | O4 | C5 | C6 | 168.8° | 179.9° |
C3 | O4 | C5 | H51 | 65.9° | 60.0° |
C3 | O4 | C5 | H52 | 43.5° | 60.0° |
H31 | C3 | O4 | C5 | 116.1° | 60.1° |
H32 | C3 | O4 | C5 | 6.7° | 60.0° |
O4 | C5 | C6 | H51 | 125.3° | 120.0° |
O4 | C5 | C6 | H52 | 125.3° | 120.0° |
O4 | C5 | H51 | H52 | 119.5° | 120.0° |
O4 | C5 | C6 | O7 | 137.1° | 60.0° |
O4 | C5 | C6 | H61 | 97.7° | 180.0° |
O4 | C5 | C6 | H62 | 11.8° | 60.0° |
C6 | C5 | H51 | H52 | 119.4° | 120.0° |
C5 | C6 | O7 | H61 | 125.3° | 120.0° |
C5 | C6 | O7 | H62 | 125.3° | 120.0° |
C5 | C6 | H61 | H62 | 115.3° | 119.9° |
C5 | C6 | O7 | C8 | 58.1° | 180.0° |
H51 | C5 | C6 | O7 | 11.8° | 60.0° |
H51 | C5 | C6 | H61 | 137.0° | 60.0° |
H51 | C5 | C6 | H62 | 113.5° | 180.0° |
H52 | C5 | C6 | O7 | 97.7° | 180.0° |
H52 | C5 | C6 | H61 | 27.6° | 59.9° |
H52 | C5 | C6 | H62 | 137.1° | 60.0° |
O7 | C6 | H61 | H62 | 115.3° | 120.1° |
C6 | O7 | C8 | C9 | 171.2° | 180.0° |
C6 | O7 | C8 | H81 | 63.5° | 60.0° |
C6 | O7 | C8 | H82 | 46.0° | 60.0° |
H61 | C6 | O7 | C8 | 67.1° | 60.0° |
H62 | C6 | O7 | C8 | 176.6° | 60.1° |
O7 | C8 | C9 | H81 | 125.3° | 120.1° |
O7 | C8 | C9 | H82 | 125.3° | 120.0° |
O7 | C8 | H81 | H82 | 117.9° | 120.0° |
O7 | C8 | C9 | O10 | 127.8° | 60.0° |
O7 | C8 | C9 | H91 | 2.5° | 180.0° |
O7 | C8 | C9 | H92 | 107.0° | 59.9° |
C9 | C8 | H81 | H82 | 117.8° | 120.0° |
C8 | C9 | O10 | H91 | 125.2° | 120.0° |
C8 | C9 | O10 | H92 | 125.2° | 120.0° |
C8 | C9 | H91 | H92 | 115.9° | 120.0° |
C8 | C9 | O10 | C11 | 87.8° | 180.0° |
H81 | C8 | C9 | O10 | 107.0° | 60.0° |
H81 | C8 | C9 | H91 | 127.8° | 60.0° |
H81 | C8 | C9 | H92 | 18.3° | 180.0° |
H82 | C8 | C9 | O10 | 2.5° | 180.0° |
H82 | C8 | C9 | H91 | 122.7° | 60.0° |
H82 | C8 | C9 | H92 | 127.7° | 60.0° |
O10 | C9 | H91 | H92 | 116.0° | 120.0° |
C9 | O10 | C11 | C12 | 179.7° | 180.0° |
C9 | O10 | C11 | H111 | 54.5° | 60.0° |
C9 | O10 | C11 | H112 | 55.0° | 60.0° |
H91 | C9 | O10 | C11 | 37.4° | 60.0° |
H92 | C9 | O10 | C11 | 146.9° | 60.0° |
O10 | C11 | C12 | H111 | 125.2° | 120.0° |
O10 | C11 | C12 | H112 | 125.3° | 120.0° |
O10 | C11 | H111 | H112 | 118.0° | 120.0° |
O10 | C11 | C12 | O13 | 99.8° | 59.9° |
O10 | C11 | C12 | H121 | 134.9° | 180.0° |
O10 | C11 | C12 | H122 | 25.4° | 60.0° |
C12 | C11 | H111 | H112 | 118.0° | 120.0° |
C11 | C12 | O13 | H121 | 125.3° | 120.0° |
C11 | C12 | O13 | H122 | 125.2° | 120.0° |
C11 | C12 | H121 | H122 | 115.3° | 120.0° |
C11 | C12 | O13 | C14 | 125.7° | 180.0° |
H111 | C11 | C12 | O13 | 25.4° | 60.1° |
H111 | C11 | C12 | H121 | 99.8° | 60.0° |
H111 | C11 | C12 | H122 | 150.7° | 180.0° |
H112 | C11 | C12 | O13 | 134.9° | 180.0° |
H112 | C11 | C12 | H121 | 9.6° | 60.0° |
H112 | C11 | C12 | H122 | 99.9° | 60.0° |
O13 | C12 | H121 | H122 | 115.3° | 119.9° |
C12 | O13 | C14 | C15 | 122.1° | 179.9° |
C12 | O13 | C14 | H141 | 3.2° | 59.9° |
C12 | O13 | C14 | H142 | 112.6° | 60.0° |
H121 | C12 | O13 | C14 | 0.4° | 60.0° |
H122 | C12 | O13 | C14 | 109.1° | 60.0° |
O13 | C14 | C15 | H141 | 125.3° | 120.0° |
O13 | C14 | C15 | H142 | 125.3° | 120.0° |
O13 | C14 | H141 | H142 | 118.1° | 119.9° |
O13 | C14 | C15 | O16 | 1.3° | 60.0° |
O13 | C14 | C15 | H151 | 124.1° | 180.0° |
O13 | C14 | C15 | H152 | 126.5° | 60.0° |
C15 | C14 | H141 | H142 | 118.1° | 120.0° |
C14 | C15 | O16 | H151 | 125.3° | 120.1° |
C14 | C15 | O16 | H152 | 125.3° | 120.0° |
C14 | C15 | H151 | H152 | 116.9° | 120.0° |
C14 | C15 | O16 | C17 | 98.4° | 179.9° |
H141 | C14 | C15 | O16 | 126.5° | 60.0° |
H141 | C14 | C15 | H151 | 1.2° | 60.1° |
H141 | C14 | C15 | H152 | 108.2° | 179.9° |
H142 | C14 | C15 | O16 | 124.0° | 180.0° |
H142 | C14 | C15 | H151 | 110.7° | 60.0° |
H142 | C14 | C15 | H152 | 1.2° | 60.0° |
O16 | C15 | H151 | H152 | 116.8° | 119.9° |
C15 | O16 | C17 | C18 | 116.6° | 180.0° |
C15 | O16 | C17 | H171 | 118.1° | 60.0° |
C15 | O16 | C17 | H172 | 8.6° | 60.0° |
H151 | C15 | O16 | C17 | 26.9° | 59.9° |
H152 | C15 | O16 | C17 | 136.4° | 60.0° |
O16 | C17 | C18 | H171 | 125.2° | 119.9° |
O16 | C17 | C18 | H172 | 125.3° | 120.0° |
O16 | C17 | H171 | H172 | 118.4° | 120.0° |
O16 | C17 | C18 | O19 | 51.4° | 60.0° |
O16 | C17 | C18 | H181 | 73.8° | 180.0° |
O16 | C17 | C18 | H182 | 176.7° | 60.0° |
C18 | C17 | H171 | H172 | 118.4° | 120.1° |
C17 | C18 | O19 | H181 | 125.3° | 119.9° |
C17 | C18 | O19 | H182 | 125.2° | 120.0° |
C17 | C18 | H181 | H182 | 116.9° | 120.0° |
C17 | C18 | O19 | C20 | 109.7° | 179.9° |
H171 | C17 | C18 | O19 | 176.7° | 59.9° |
H171 | C17 | C18 | H181 | 51.4° | 60.0° |
H171 | C17 | C18 | H182 | 58.1° | 180.0° |
H172 | C17 | C18 | O19 | 73.8° | 180.0° |
H172 | C17 | C18 | H181 | 160.9° | 60.1° |
H172 | C17 | C18 | H182 | 51.4° | 59.9° |
O19 | C18 | H181 | H182 | 116.9° | 120.1° |
C18 | O19 | C20 | C21 | 77.9° | 180.0° |
C18 | O19 | C20 | H201 | 156.8° | 60.0° |
C18 | O19 | C20 | H202 | 47.4° | 60.0° |
H181 | C18 | O19 | C20 | 15.6° | 60.0° |
H182 | C18 | O19 | C20 | 125.1° | 60.1° |
O19 | C20 | C21 | H201 | 125.3° | 120.1° |
O19 | C20 | C21 | H202 | 125.3° | 120.0° |
O19 | C20 | H201 | H202 | 115.4° | 120.0° |
O19 | C20 | C21 | O22 | 144.0° | 120.0° |
O19 | C20 | C21 | H21 | 36.0° | 60.0° |
C21 | C20 | H201 | H202 | 115.4° | 119.9° |
C20 | C21 | O22 | H21 | 180.0° | 180.0° |
H201 | C20 | C21 | O22 | 18.7° | 0.1° |
H201 | C20 | C21 | H21 | 161.3° | 180.0° |
H202 | C20 | C21 | O22 | 90.7° | 120.0° |
H202 | C20 | C21 | H21 | 89.3° | 60.0° |