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IPE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1O1sing1.43Å1.44Å
C1C2sing1.53Å1.53Å
C1H11sing1.09Å1.11Å
C1H12sing1.09Å1.11Å
O1PAsing1.61Å1.65Å
C2C3sing1.51Å1.35Å
C2H21sing1.09Å1.12Å
C2H22sing1.09Å1.12Å
C3C4doub1.31Å1.55Å
C3C5sing1.51Å1.52Å
C4H41sing1.08Å1.10Å
C4H42sing1.08Å1.10Å
C5H51sing1.09Å1.11Å
C5H52sing1.09Å1.12Å
C5H53sing1.09Å1.12Å
PAO1Adoub1.48Å1.53Å
PAO2Asing1.61Å1.57Å
PAO3Asing1.61Å1.54Å
O2AH2Asing0.97Å0.95Å
O3APBsing1.61Å1.56Å
PBO1Bsing1.61Å1.43Å
PBO2Bdoub1.48Å1.53Å
PBO3Bsing1.61Å1.56Å
O1BH1Bsing0.97Å0.95Å
O3BH3Bsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O1C1C2117.0°109.5°
O1C1H11109.5°109.5°
O1C1H12109.5°109.4°
C1O1PA124.0°106.8°
C2C1H11109.5°109.5°
C2C1H12109.5°109.4°
C1C2C3124.9°109.5°
C1C2H21106.8°109.5°
C1C2H22106.8°109.5°
H11C1H12100.6°109.5°
O1PAO1A107.1°109.5°
O1PAO2A102.8°109.5°
O1PAO3A121.1°109.5°
C3C2H21106.8°109.4°
C3C2H22106.7°109.5°
C2C3C4121.2°120.0°
C2C3C5118.2°120.0°
H21C2H22102.8°109.4°
C4C3C5120.5°120.0°
C3C4H41121.2°120.0°
C3C4H42120.5°120.0°
C3C5H51109.0°109.5°
C3C5H52118.2°109.5°
C3C5H53109.1°109.5°
H41C4H42118.3°120.0°
H51C5H52109.0°109.5°
H51C5H53101.0°109.4°
H52C5H53109.1°109.5°
O1APAO2A120.3°109.5°
O1APAO3A97.1°109.5°
O2APAO3A109.6°109.4°
PAO2AH2A102.8°106.8°
PAO3APB125.4°106.8°
O3APBO1B119.0°109.5°
O3APBO2B112.8°109.5°
O3APBO3B110.2°109.5°
O1BPBO2B111.2°109.4°
O1BPBO3B97.4°109.5°
PBO1BH1B119.0°106.8°
O2BPBO3B104.1°109.5°
PBO3BH3B110.1°106.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1C2H11125.3°120.1°
O1C1C2H12125.3°120.0°
O1C1H11H12115.3°120.0°
O1C1C2C3179.5°180.0°
O1C1C2H2154.2°60.0°
O1C1C2H2255.2°60.0°
C1O1PAO1A72.5°55.0°
C1O1PAO2A55.2°65.1°
C1O1PAO3A177.8°175.0°
C2C1H11H12115.3°120.0°
C2C1O1PA32.1°180.0°
C1C2C3H21125.3°120.0°
C1C2C3H22125.3°120.0°
C1C2H21H22112.2°120.0°
C1C2C3C40.2°95.0°
C1C2C3C5179.9°85.0°
H11C1O1PA93.1°59.9°
H11C1C2C355.2°60.0°
H11C1C2H21179.5°180.0°
H11C1C2H2270.0°60.1°
H12C1O1PA157.4°60.1°
H12C1C2C354.2°60.0°
H12C1C2H2171.0°60.0°
H12C1C2H22179.5°179.9°
O1PAO1AO2A116.6°120.0°
O1PAO1AO3A125.7°120.0°
O1PAO2AO3A130.1°120.0°
O1PAO2AH2A180.0°60.0°
O1PAO3APB94.7°165.0°
C3C2H21H22112.2°120.0°
C2C3C4C5180.0°180.0°
C2C3C4H41180.0°179.9°
C2C3C4H420.0°0.1°
C2C3C5H5154.7°179.9°
C2C3C5H52180.0°60.0°
C2C3C5H5354.7°60.0°
H21C2C3C4125.1°145.0°
H21C2C3C554.9°35.0°
H22C2C3C4125.4°25.1°
H22C2C3C554.6°155.0°
C3C4H41H42180.0°179.9°
C4C3C5H51125.2°0.0°
C4C3C5H520.0°120.0°
C4C3C5H53125.3°119.9°
C5C3C4H410.0°0.1°
C5C3C4H42180.0°179.9°
C3C5H51H52130.4°120.1°
C3C5H51H53114.8°119.9°
C3C5H52H53125.3°120.0°
H51C5H52H53109.5°120.0°
O1APAO2AO3A111.1°119.9°
O1APAO2AH2A61.2°180.0°
O1APAO3APB150.3°44.9°
O2APAO3APB24.6°75.0°
O3APAO2AH2A49.9°60.0°
PAO3APBO1B131.8°80.0°
PAO3APBO2B1.2°40.0°
PAO3APBO3B117.0°160.0°
O3APBO1BO2B133.7°120.0°
O3APBO1BO3B118.0°120.0°
O3APBO2BO3B119.4°120.0°
O3APBO1BH1B180.0°60.0°
O3APBO3BH3B180.0°180.0°
O1BPBO2BO3B103.9°120.0°
O1BPBO3BH3B55.3°60.0°
O2BPBO1BH1B46.3°180.0°
O2BPBO3BH3B58.8°60.0°
O3BPBO1BH1B62.0°60.0°

217705

PDB entries from 2024-03-27

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