Information card for entry 2226834

Structure parameters

• Chemical name: 3β-Acetoxy-8β,10β-dihydroxy-6β-methoxyeremophil-7(11)-en-8,12-olide
• Formula: C18 H26 O7
• Calculated formula: C18 H26 O7
• SMILES: O1C(=O)C(=C2[C@H](OC)[C@]3([C@@H]([C@H](OC(=O)C)CC[C@@]3(O)C[C@@]12O)C)C)C
• Title of publication: 3β-Acetoxy-8β,10β-dihydroxy-6β-methoxyeremophil-7(11)-en-8,12-olide
• Authors of publication: Wu, Hai-Bo; Li, Hua; Lan, Xiao-Cong; Wang, Wen-Shu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2161
• a: 7.3036 ± 0.0015 Å
• b: 9.789 ± 0.002 Å
• c: 25.553 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1826.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0744
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes