Information card for entry 2232274

Structure parameters

• Chemical name: 6β,8β-Dihydroxyeremophil-7(11)-en-8α,12-olide
• Formula: C15 H22 O4
• Calculated formula: C15 H22 O4
• SMILES: C1CC[C@@H]([C@]2([C@@H](C3=C(C(=O)O[C@]3(C[C@@H]12)O)C)O)C)C
• Title of publication: 6β,8β-Dihydroxyeremophil-7(11)-en-8α,12-olide
• Authors of publication: Zhang, Zhan-Xin; Fei, Dong-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2957
• a: 9.8627 ± 0.0007 Å
• b: 10.5674 ± 0.0007 Å
• c: 13.1565 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1371.21 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0425
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes