Information card for entry 2001023

Structure parameters

• Formula: C20 H36 O4
• Calculated formula: C20 H36 O4
• SMILES: C/C1=C\CC[C@]2(C)O[C@H]2[C@H](O)C[C@](/C=C/[C@@H](CC1)C(C)C)(C)O.O
• Title of publication: Structure of a 7,8-epoxycembranoid isolated from tobacco
• Authors of publication: Berg, J.-E.; Wahlberg, I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 3
• Pages of publication: 566 - 568
• a: 9.808 ± 0.002 Å
• b: 8.019 ± 0.004 Å
• c: 13.755 ± 0.003 Å
• α: 90°
• β: 105.73 ± 0.02°
• γ: 90°
• Cell volume: 1041.3 ± 0.6 ų
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No