Information card for entry 2015253

Structure parameters

• Common name: cinnamolide-3β-ol-acetate
• Chemical name: 3β-Acetoxy-7-drimen-12,11-olide
• Formula: C17 H24 O4
• Calculated formula: C17 H24 O4
• SMILES: O1C[C@H]2C(=CC[C@H]3C([C@@H](OC(=O)C)CC[C@]23C)(C)C)C1=O
• Title of publication: Cinnamolid-3β-ol hemihydrate and 3β-hydroxycinnamolide acetate, two drimanolide-class sesquiterpene lactones from <i>Warburgia ugandensis</i>
• Authors of publication: Zhang, Yi-Xun; Jackson, Shauntina H.; Rajab, Mohamed S.; Fronczek, Frank R.; Watkins, Steven F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o219 - o221
• a: 6.802 ± 0.003 Å
• b: 7.918 ± 0.004 Å
• c: 14.302 ± 0.008 Å
• α: 90°
• β: 101.22 ± 0.02°
• γ: 90°
• Cell volume: 755.6 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.109
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No