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KTC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C2C3sing1.53Å1.52Å
C2C1sing1.53Å1.52Å
CC1sing1.53Å1.51Å
C3C4sing1.53Å1.52Å
C4C5sing1.53Å1.52Å
C5C6sing1.53Å1.52Å
C6C7sing1.53Å1.53Å
O2C8doub1.21Å1.22Å
C7C8sing1.51Å1.51Å
C8C9sing1.51Å1.51Å
C9C10sing1.53Å1.52Å
C10C11sing1.53Å1.52Å
C12C11sing1.53Å1.52Å
C12C13sing1.53Å1.52Å
C14C13sing1.53Å1.52Å
C14C15sing1.53Å1.52Å
C15C16sing1.53Å1.52Å
C16C17sing1.51Å1.51Å
OC17doub1.21Å1.33Å
C17O1sing1.34Å1.22Å
O1H1sing0.97Å0.95Å
C16H2sing1.09Å1.10Å
C16H3sing1.09Å1.10Å
C15H4sing1.09Å1.10Å
C15H5sing1.09Å1.10Å
C14H6sing1.09Å1.10Å
C14H7sing1.09Å1.10Å
C13H8sing1.09Å1.10Å
C13H9sing1.09Å1.10Å
C12H10sing1.09Å1.10Å
C12H11sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
C11H13sing1.09Å1.10Å
C10H14sing1.09Å1.10Å
C10H15sing1.09Å1.10Å
C9H16sing1.09Å1.10Å
C9H17sing1.09Å1.10Å
C7H18sing1.09Å1.10Å
C7H19sing1.09Å1.10Å
C6H20sing1.09Å1.10Å
C6H21sing1.09Å1.10Å
C5H22sing1.09Å1.10Å
C5H23sing1.09Å1.10Å
C4H24sing1.09Å1.10Å
C4H25sing1.09Å1.10Å
C3H26sing1.09Å1.10Å
C3H27sing1.09Å1.10Å
C2H28sing1.09Å1.10Å
C2H29sing1.09Å1.10Å
C1H30sing1.09Å1.10Å
C1H31sing1.09Å1.10Å
CH32sing1.09Å1.10Å
CH33sing1.09Å1.10Å
CH34sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C3C2C1112.7°109.4°
C2C3C4108.7°109.4°
C2C3H26109.7°109.5°
C2C3H27109.7°109.5°
C3C2H28108.6°109.4°
C3C2H29108.6°109.4°
C2C1C111.9°109.4°
C1C2H28108.7°109.5°
C1C2H29108.7°109.5°
C2C1H30108.9°109.5°
C2C1H31108.9°109.5°
CC1H30108.9°109.5°
CC1H31108.9°109.5°
C1CH32109.5°109.5°
C1CH33109.5°109.5°
C1CH34109.5°109.5°
C3C4C5111.3°109.5°
C3C4H24109.0°109.5°
C3C4H25109.0°109.5°
C4C3H26109.7°109.5°
C4C3H27109.7°109.5°
C4C5C6110.8°109.5°
C4C5H22109.1°109.5°
C4C5H23109.1°109.5°
C5C4H24109.0°109.5°
C5C4H25109.0°109.5°
C5C6C7111.2°109.4°
C5C6H20109.0°109.5°
C5C6H21109.0°109.5°
C6C5H22109.2°109.5°
C6C5H23109.2°109.5°
C6C7C8109.8°109.5°
C6C7H18109.4°109.5°
C6C7H19109.4°109.5°
C7C6H20109.0°109.5°
C7C6H21109.0°109.5°
O2C8C7120.2°120.0°
O2C8C9119.9°120.0°
C7C8C9120.0°120.0°
C8C7H18109.4°109.4°
C8C7H19109.4°109.4°
C8C9C10109.0°109.5°
C8C9H16109.6°109.5°
C8C9H17109.6°109.5°
C9C10C11111.0°109.5°
C9C10H14109.1°109.5°
C9C10H15109.1°109.5°
C10C9H16109.6°109.5°
C10C9H17109.6°109.5°
C10C11C12111.1°109.5°
C10C11H12109.1°109.4°
C10C11H13109.0°109.4°
C11C10H14109.1°109.4°
C11C10H15109.1°109.4°
C11C12C13110.4°109.5°
C11C12H10109.3°109.5°
C11C12H11109.2°109.5°
C12C11H12109.1°109.5°
C12C11H13109.1°109.5°
C12C13C14110.9°109.5°
C12C13H8109.1°109.4°
C12C13H9109.1°109.4°
C13C12H10109.2°109.4°
C13C12H11109.3°109.4°
C13C14C15111.6°109.5°
C13C14H6109.0°109.5°
C13C14H7108.9°109.5°
C14C13H8109.1°109.5°
C14C13H9109.1°109.5°
C14C15C16111.5°109.5°
C14C15H4109.0°109.4°
C14C15H5109.0°109.4°
C15C14H6109.0°109.4°
C15C14H7109.0°109.4°
C15C16C17108.4°109.5°
C15C16H2109.7°109.5°
C15C16H3109.7°109.5°
C16C15H4108.9°109.5°
C16C15H5108.9°109.5°
C16C17O119.9°120.0°
C16C17O1120.7°120.0°
C17C16H2109.7°109.5°
C17C16H3109.7°109.5°
OC17O1119.4°119.9°
C17O1H1109.5°117.0°
H2C16H3109.5°109.4°
H4C15H5109.5°109.4°
H6C14H7109.4°109.5°
H8C13H9109.5°109.4°
H10C12H11109.5°109.5°
H12C11H13109.5°109.4°
H14C10H15109.5°109.5°
H16C9H17109.5°109.4°
H18C7H19109.5°109.5°
H20C6H21109.5°109.5°
H22C5H23109.5°109.5°
H24C4H25109.5°109.5°
H26C3H27109.5°109.5°
H28C2H29109.5°109.5°
H30C1H31109.5°109.5°
H32CH33109.5°109.5°
H32CH34109.5°109.5°
H33CH34109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C3C2C1H28120.5°119.9°
C3C2C1H29120.5°119.9°
C3C2C1C53.3°180.0°
C2C3C4H26119.9°120.0°
C2C3C4H27119.9°120.0°
C2C3C4C5169.3°180.0°
C2C3C4H2470.4°60.0°
C2C3C4H2549.1°60.0°
C2C3H26H27120.3°120.0°
C3C2H28H29118.5°119.9°
C3C2C1H30173.7°60.0°
C3C2C1H3167.0°60.0°
C2C1CH30120.4°120.0°
C2C1CH31120.3°120.0°
C1C2C3C4145.4°180.0°
C1C2C3H2694.7°60.0°
C1C2C3H2725.6°60.0°
C1C2H28H29118.5°120.1°
C2C1H30H31118.9°120.0°
C2C1CH32180.0°60.0°
C2C1CH3360.0°60.0°
C2C1CH3460.0°180.0°
CC1C2H2867.1°60.1°
CC1C2H29173.8°60.1°
CC1H30H31118.9°120.0°
C1CH32H33120.0°120.0°
C1CH32H34120.0°120.0°
C1CH33H34120.0°120.0°
C3C4C5H24120.3°120.0°
C3C4C5H25120.3°120.0°
C3C4C5C6159.6°180.0°
C3C4C5H2280.2°60.0°
C3C4C5H2339.4°60.0°
C3C4H24H25119.2°120.0°
C4C3H26H27120.4°120.0°
C4C3C2H2894.1°60.0°
C4C3C2H2924.9°60.0°
C4C5C6H22120.2°120.0°
C4C5C6H23120.2°120.0°
C4C5C6C7108.5°180.0°
C4C5C6H2011.8°60.0°
C4C5C6H21131.3°60.0°
C4C5H22H23119.4°120.0°
C5C4H24H25119.2°120.0°
C5C4C3H2649.5°60.0°
C5C4C3H2770.8°60.0°
C5C6C7H20120.3°120.0°
C5C6C7H21120.3°120.0°
C5C6C7C8147.9°180.0°
C5C6C7H1827.9°60.0°
C5C6C7H1992.1°60.0°
C5C6H20H21119.2°120.0°
C6C5H22H23119.4°120.0°
C6C5C4H2439.4°60.0°
C6C5C4H2580.1°60.0°
C6C7C8O28.3°0.0°
C6C7C8H18120.0°120.0°
C6C7C8H19120.0°120.0°
C6C7C8C9172.3°180.0°
C6C7H18H19119.8°120.1°
C7C6H20H21119.2°120.0°
C7C6C5H22131.4°60.0°
C7C6C5H2311.7°60.0°
O2C8C7C9179.4°180.0°
O2C8C9C1070.1°0.0°
O2C8C9H1649.8°120.0°
O2C8C9H17169.9°120.0°
O2C8C7H18111.7°120.0°
O2C8C7H19128.3°120.0°
C7C8C9C10110.5°180.0°
C7C8C9H16129.6°60.0°
C7C8C9H179.5°60.0°
C8C7H18H19119.9°119.9°
C8C7C6H2091.8°60.0°
C8C7C6H2127.6°60.0°
C8C9C10H16119.9°120.0°
C8C9C10H17119.9°120.0°
C8C9C10C11173.8°180.0°
C8C9C10H1465.9°60.0°
C8C9C10H1553.6°60.0°
C8C9H16H17120.2°119.9°
C9C8C7H1867.6°60.0°
C9C8C7H1952.3°60.0°
C9C10C11H14120.3°120.0°
C9C10C11H15120.2°120.0°
C9C10C11C1273.1°180.0°
C9C10C11H1247.2°60.0°
C9C10C11H13166.7°60.0°
C9C10H14H15119.3°120.0°
C10C9H16H17120.2°120.0°
C10C11C12H12120.3°120.0°
C10C11C12H13120.2°120.0°
C10C11C12C13173.3°180.0°
C10C11C12H1066.5°60.0°
C10C11C12H1153.2°60.0°
C10C11H12H13119.2°119.9°
C11C10H14H15119.3°120.0°
C11C10C9H1653.9°60.0°
C11C10C9H1766.2°60.0°
C11C12C13H10120.2°120.0°
C11C12C13H11120.1°120.0°
C11C12C13C14159.8°180.0°
C11C12C13H880.0°60.0°
C11C12C13H939.6°60.0°
C11C12H10H11119.6°120.0°
C12C11H12H13119.3°120.0°
C12C11C10H14166.7°60.0°
C12C11C10H1547.2°60.0°
C12C13C14H8120.2°120.0°
C12C13C14H9120.2°120.0°
C12C13C14C15166.9°180.0°
C12C13C14H646.6°60.0°
C12C13C14H772.8°60.0°
C12C13H8H9119.3°119.9°
C13C12H10H11119.6°120.0°
C13C12C11H1253.0°60.0°
C13C12C11H1366.5°60.0°
C13C14C15H6120.3°120.0°
C13C14C15H7120.3°120.0°
C13C14C15C1674.1°180.0°
C13C14C15H446.2°60.0°
C13C14C15H5165.6°60.0°
C13C14H6H7119.0°120.0°
C14C13H8H9119.4°120.0°
C14C13C12H1039.7°60.0°
C14C13C12H1180.1°60.0°
C14C15C16H4120.3°120.0°
C14C15C16H5120.3°120.0°
C14C15C16C17151.4°180.0°
C14C15C16H231.6°60.0°
C14C15C16H388.8°60.0°
C14C15H4H5119.1°119.9°
C15C14H6H7119.0°120.0°
C15C14C13H872.9°60.0°
C15C14C13H946.7°60.0°
C15C16C17H2119.8°120.0°
C15C16C17H3119.8°120.0°
C15C16C17O71.1°0.0°
C15C16C17O1108.5°180.0°
C15C16H2H3120.5°120.0°
C16C15H4H5119.0°120.0°
C16C15C14H6165.6°60.0°
C16C15C14H746.2°60.0°
C16C17OO1179.6°180.0°
C16C17O1H1179.6°180.0°
C17C16H2H3120.5°120.0°
C17C16C15H488.3°60.0°
C17C16C15H531.1°60.0°
OC17O1H10.0°0.0°
OC17C16H248.7°120.0°
OC17C16H3169.1°120.0°
O1C17C16H2131.7°60.0°
O1C17C16H311.3°60.0°
H2C16C15H4151.9°180.0°
H2C16C15H588.7°60.0°
H3C16C15H431.5°60.0°
H3C16C15H5150.9°180.0°
H4C15C14H674.1°180.0°
H4C15C14H7166.5°60.0°
H5C15C14H645.3°60.0°
H5C15C14H774.1°180.0°
H6C14C13H8166.8°180.0°
H6C14C13H973.7°60.0°
H7C14C13H847.4°60.0°
H7C14C13H9167.0°180.0°
H8C13C12H10159.9°180.0°
H8C13C12H1140.2°60.0°
H9C13C12H1080.6°60.0°
H9C13C12H11159.7°180.0°
H10C12C11H12173.2°180.0°
H10C12C11H1353.7°60.0°
H11C12C11H1267.1°60.0°
H11C12C11H13173.4°180.0°
H12C11C10H1473.1°180.0°
H12C11C10H15167.4°60.0°
H13C11C10H1446.4°60.0°
H13C11C10H1573.1°180.0°
H14C10C9H16174.2°180.0°
H14C10C9H1754.0°60.0°
H15C10C9H1666.3°60.0°
H15C10C9H17173.5°180.0°
H18C7C6H20148.1°180.0°
H18C7C6H2192.4°60.0°
H19C7C6H2028.2°60.0°
H19C7C6H21147.7°180.0°
H20C6C5H22108.4°180.0°
H20C6C5H23132.0°60.0°
H21C6C5H2211.1°60.0°
H21C6C5H23108.5°180.0°
H22C5C4H24159.5°180.0°
H22C5C4H2540.1°60.0°
H23C5C4H2480.8°60.0°
H23C5C4H25159.7°180.0°
H24C4C3H26169.7°180.0°
H24C4C3H2749.4°60.0°
H25C4C3H2670.8°60.0°
H25C4C3H27168.9°180.0°
H26C3C2H2825.8°180.0°
H26C3C2H29144.9°60.0°
H27C3C2H28146.1°60.0°
H27C3C2H2994.9°180.0°
H28C2C1H3053.2°179.9°
H28C2C1H31172.5°59.9°
H29C2C1H3065.8°59.9°
H29C2C1H3153.5°179.9°
H30C1CH3259.6°NaN°
H30C1CH33179.6°60.0°
H30C1CH3460.4°60.0°
H31C1CH3259.7°60.0°
H31C1CH3360.3°NaN°
H31C1CH34179.7°60.0°
H32CH33H34120.0°120.0°

224931

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