Information card for entry 2000645

Structure parameters

• Chemical name: 2α, 3α,-7α, 13α-diépoxyhimachalane
• Formula: C15 H24 O2
• Calculated formula: C15 H24 O2
• SMILES: CC1(C)CCC[C@@]2([C@H]3[C@@H]1[C@@H]1O[C@]1(C)CC3)CO2
• Title of publication: Structure du 2α,3α,7α,13α-diépoxyhimachalane
• Authors of publication: Chiaroni, A.; Riche, C.; Benharref, A.; Chekroun, A.; Lavergne, J.-P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 1720 - 1722
• a: 6.548 ± 0.002 Å
• b: 9.685 ± 0.002 Å
• c: 21.282 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1349.6 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.071
• Goodness-of-fit parameter for significantly intense reflections: 0.96
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No