Information card for entry 1519615

Structure parameters

• Formula: C21 H31.5 N0.5 O2
• Calculated formula: C21 H31.5 N0.5 O2
• SMILES: O=C1C[C@H]2C(CCC[C@@]2([C@@H]2C1=C[C@]([C@H](O)C2)(C=C)C)C)(C)C.N#CC
• 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: 6.3147 ± 0.0002 Å
• b: 23.2682 ± 0.0009 Å
• c: 25.4495 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3739.3 ± 0.2 ų
• Cell temperature: 290.92 ± 0.1 K
• Ambient diffraction temperature: 290.92 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0641
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No