Information card for entry 2234380

Structure parameters

• Chemical name: 5α-Hydroxyeudesm-4(15),11(13)-dien-8β,12-olide
• Formula: C15 H20 O3
• Calculated formula: C15 H20 O3
• SMILES: [C@@H]12C[C@]3(CCCC(=C)[C@@]3(C[C@@H]1C(=C)C(=O)O2)O)C
• Title of publication: 5α-Hydroxyeudesm-4(15),11(13)-dien-8β,12-olide
• Authors of publication: Gao, Xue; Chen, Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1208
• a: 7.893 ± 0.002 Å
• b: 7.034 ± 0.002 Å
• c: 12.166 ± 0.004 Å
• α: 90°
• β: 101.154 ± 0.003°
• γ: 90°
• Cell volume: 662.7 ± 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: 0.0427
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No