Information card for entry 2213624

Structure parameters

• Chemical name: 6β-angeloyloxy-3β,8β-dihydroxyeremophil-7(11)-en-12,8α-olide
• Formula: C20 H28 O6
• Calculated formula: C20 H28 O6
• SMILES: O[C@H]1CC[C@H]2[C@@]([C@H]1C)([C@H](OC(=O)C(=C/C)\C)C1=C(C(=O)O[C@@]1(O)C2)C)C
• Title of publication: 6β-Angeloyloxy-3β,8β-dihydroxyeremophil-7(11)-en-12,8α-olide
• Authors of publication: Wu, Bing; Zhang, Hong-Jun; Qiu, Feng; Chen, Min-Qin; Lin, Hou-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2755 - o2756
• a: 8.616 ± 0.0014 Å
• b: 13.093 ± 0.002 Å
• c: 9.2584 ± 0.0015 Å
• α: 90°
• β: 112.499 ± 0.002°
• γ: 90°
• Cell volume: 964.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes