Information card for entry 4101661

Structure parameters

• Formula: C23 H27 Br O5
• Calculated formula: C23 H27 Br O5
• SMILES: Br[C@@H]1[C@]23O[C@H]([C@@H]4OC(O[C@H]24)(C)C)C[C@]3([C@@H]2C(=O)c3c(c(ccc3[C@H]2C1)CO)C)C.Br[C@H]1[C@@]23O[C@@H]([C@H]4OC(O[C@@H]24)(C)C)C[C@@]3([C@H]2C(=O)c3c(c(ccc3[C@@H]2C1)CO)C)C
• Title of publication: Chemical and biological studies of nakiterpiosin and nakiterpiosinone.
• Authors of publication: Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Journal issue: 1
• Pages of publication: 371 - 383
• a: 11.252 ± 0.003 Å
• b: 14.425 ± 0.003 Å
• c: 14.949 ± 0.004 Å
• α: 68.148 ± 0.003°
• β: 70.938 ± 0.004°
• γ: 72.309 ± 0.004°
• Cell volume: 2082.1 ± 0.9 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No