Information card for entry 1562888

Structure parameters

• Formula: C31 H50 O2
• Calculated formula: C31 H50 O2
• SMILES: O=C1CC[C@@]2(C3=C(CC[C@H]2C1(C)C)[C@]1([C@]([C@@H]([C@@H](C[C@@H](O)C(=C)C(C)C)C)CC1)(C)CC3)C)C
• Title of publication: Sesquiterpenes and Steroids from an Endophytic <i>Eutypella scoparia</i>.
• Authors of publication: Zhang, Wenge; Lu, Xiuxiang; Huo, Luqiong; Zhang, Sha; Chen, Yan; Zou, Zhenxing; Tan, Haibo
• Journal of publication: Journal of natural products
• Year of publication: 2021
• a: 11.9979 ± 0.0001 Å
• b: 7.3887 ± 0.0001 Å
• c: 16.0537 ± 0.0002 Å
• α: 90°
• β: 102.2 ± 0.001°
• γ: 90°
• Cell volume: 1391 ± 0.03 ų
• Cell temperature: 106 ± 8 K
• Ambient diffraction temperature: 106 ± 8 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: 0.0387
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No