Information card for entry 7159609

Structure parameters

• Formula: C30 H46 O4
• Calculated formula: C30 H46 O4
• SMILES: O=C[C@@]12[C@@H]3CC(CC[C@]43C(=O)O[C@@H]1[C@H]1[C@]([C@@]2(CC4)C)(CC[C@@H]2[C@@]1(CC[C@H](O)C2(C)C)C)C)(C)C
• 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: 7.415 ± 0.004 Å
• b: 10.967 ± 0.005 Å
• c: 15.805 ± 0.007 Å
• α: 90°
• β: 99.819 ± 0.017°
• γ: 90°
• Cell volume: 1266.4 ± 1.1 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: 0.0958
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No