Information card for entry 2206830

Structure parameters

• Chemical name: 10α-Hydroxy-1-oxoeremophila-7(11),8(9)-dien-12,8-olide
• Formula: C15 H18 O4
• Calculated formula: C15 H18 O4
• SMILES: O1C2=C[C@]3(O)C(=O)CC[C@@H]([C@]3(CC2=C(C1=O)C)C)C
• Title of publication: 10α-Hydroxy-1-oxoeremophila-7(11),8(9)-dien-12,8-olide
• Authors of publication: Wu, Quan-Xiang; Shi, Yan-Ping; Shi, Yan-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3502 - o3504
• a: 6.885 ± 0.002 Å
• b: 6.969 ± 0.002 Å
• c: 27.348 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1312.2 ± 0.7 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 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 all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes