Information card for entry 2227655

Structure parameters

• Chemical name: 2α,8α-Diacetoxy-<i>cis</i>-himachalane
• Formula: C19 H32 O4
• Calculated formula: C19 H32 O4
• SMILES: [C@H]12[C@@H]([C@H](CC[C@H]1[C@H]([C@@H](CCC2(C)C)OC(=O)C)C)C)OC(=O)C
• Title of publication: 2α,8α-Diacetoxy-<i>cis</i>-himachalane
• Authors of publication: Benharref, Ahmed; Daran, Jean Claude; Berraho, Moha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2619
• a: 5.9316 ± 0.0002 Å
• b: 11.772 ± 0.0003 Å
• c: 13.3535 ± 0.0004 Å
• α: 90°
• β: 99.603 ± 0.003°
• γ: 90°
• Cell volume: 919.37 ± 0.05 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes