Information card for entry 1520760

Structure parameters

• Formula: C22 H36 O3
• Calculated formula: C22 H36 O3
• SMILES: O([C@H]1[C@@]23[C@H](CC[C@@]3([C@@H]3[C@@H](C1)[C@H]1[C@](CC3)([C@H]([C@H](O)C1)[C@@H](O)C)C)C)C2)C
• Title of publication: Concise synthesis of the core structures of saundersiosides.
• Authors of publication: Cheng, Shou-Ling; Jiang, Xiao-Ling; Shi, Yong; Tian, Wei-Sheng
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 2346 - 2349
• a: 8.1087 ± 0.0006 Å
• b: 11.9482 ± 0.0009 Å
• c: 20.232 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1960.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0451
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No