Information card for entry 1501871

Structure parameters

• Formula: C28 H47 O6
• Calculated formula: C28 H47 O6
• SMILES: [C@]1(CC[C@H]2C(CCC=C2[C@H]1OCOC)(C)C)(C[C@@]1(CC(C)C)OCCO1)COC(=O)C(C)(C)C
• Title of publication: Total synthesis of (-)-Przewalskin B.
• Authors of publication: Zheng, Jiyue; Xie, Xingang; Zhao, Changgui; He, Yongping; Zheng, Huaiji; Yang, Zhen; She, Xuegong
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 173 - 175
• a: 11.193 ± 0.009 Å
• b: 10.374 ± 0.008 Å
• c: 13.163 ± 0.01 Å
• α: 90°
• β: 106.797 ± 0.007°
• γ: 90°
• Cell volume: 1463 ± 2 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: 0.1091
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1964
• Weighted residual factors for all reflections included in the refinement: 0.2242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No