Information card for entry 1519614

Structure parameters

• Formula: C20 H28 O2
• Calculated formula: C20 H28 O2
• SMILES: O=C1CC[C@]2([C@H](C1(C)C)CC(=O)C1=C[C@](CC[C@H]21)(C=C)C)C
• Title of publication: Anti-inflammatory Terpenoids from the Leaves and Twigs of Dysoxylum gotadhora.
• Authors of publication: Jiang, Kan; Chen, Lu-Lin; Wang, Shu-Fang; Wang, Yi; Li, Ya; Gao, Kun
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 5
• Pages of publication: 1037 - 1044
• a: 12.4345 ± 0.0004 Å
• b: 6.06696 ± 0.00015 Å
• c: 12.7077 ± 0.0004 Å
• α: 90°
• β: 115.588 ± 0.004°
• γ: 90°
• Cell volume: 864.64 ± 0.05 ų
• Cell temperature: 249 ± 30 K
• Ambient diffraction temperature: 249 ± 30 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: 0.0451
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No