Information card for entry 4026191

Structure parameters

• Formula: C25 H37 Br O3 Si
• Calculated formula: C25 H37 Br O3 Si
• SMILES: Br[C@H]1C(=O)C=C2C=C3CC[C@]4([C@H]([C@]53CC[C@]2(C1)O5)CC[C@@H]4O[Si](C)(C)C(C)(C)C)C
• Title of publication: Formal Synthesis of Cortistatins
• Authors of publication: Lichao Fang; Yuan Chen; Jun Huang; Lianzhu Liu; Junmin Quan; Chuang-chuang Li; Zhen Yang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 2479 - 2487
• a: 10.342 ± 0.002 Å
• b: 6.7854 ± 0.0014 Å
• c: 18.153 ± 0.004 Å
• α: 90°
• β: 97.52 ± 0.03°
• γ: 90°
• Cell volume: 1262.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No