Information card for entry 7159611

Structure parameters

• Formula: C30 H48 O5
• Calculated formula: C30 H48 O5
• SMILES: O1C(=O)[C@H]2[C@@]([C@]3([C@@H]([C@@]4([C@H](C([C@@H](O)CC4)(C)C)CC3)C)C1)C)(C)CC[C@@]1([C@H]2CC(C)(CC1)C)C(=O)O
• Title of publication: Gram-scale synthesis of alstoscholarinoid B <i>via</i> a bio-inspired strategy.
• Authors of publication: He, Long; Zhang, Wenting; Zhang, Xiaocheng; Wu, Xiaohui; Han, Yimeng; Yan, Jiahang; Xie, Weiqing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 47
• Pages of publication: 9346 - 9355
• a: 12.7887 ± 0.001 Å
• b: 13.3649 ± 0.001 Å
• c: 53.155 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9085.2 ± 1.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0765
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No