Information card for entry 1520761

Structure parameters

• Formula: C26 H40 O5
• Calculated formula: C26 H40 O5
• SMILES: O1[C@H]2C[C@H]3[C@@H]4C[C@@H](OC)[C@@]56[C@H](CC[C@@]6([C@H]4CC[C@@]3([C@H]2[C@H](C)CC1=O)COCOC)C)C5
• 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: 7.3909 ± 0.0007 Å
• b: 12.9276 ± 0.0012 Å
• c: 25.254 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2412.9 ± 0.4 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: 0.0435
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No