Information card for entry 4032740

Structure parameters

• Formula: C29 H44 O4
• Calculated formula: C29 H44 O4
• SMILES: O([C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@H](C)[C@@H]2OC(=O)[C@@H](CC2)C)C)C1)C)C(=O)C
• Title of publication: Divergent Synthesis of Solanidine and 22-epi-Solanidine.
• Authors of publication: Hou, Ling-Li; Shi, Yong; Zhang, Zhi-Dan; Wu, Jing-Jing; Yang, Qing-Xiong; Tian, Wei-Sheng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 14
• Pages of publication: 7463 - 7469
• a: 11.851 ± 0.002 Å
• b: 6.5036 ± 0.0013 Å
• c: 17.863 ± 0.004 Å
• α: 90°
• β: 108.35 ± 0.03°
• γ: 90°
• Cell volume: 1306.8 ± 0.5 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: 0.0424
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No