Information card for entry 1548225

Structure parameters

• Formula: C24 H32 O2 Si
• Calculated formula: C24 H32 O2 Si
• SMILES: [Si](O[C@@]([C@H]1OCc2c(cccc2)C1)(c1ccccc1)C=C)(C(C)(C)C)(C)C
• Title of publication: Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E
• Authors of publication: Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 7332
• a: 7.6184 ± 0.0003 Å
• b: 16.5442 ± 0.0008 Å
• c: 18.1572 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2288.54 ± 0.17 ų
• Cell temperature: 294.9 ± 0.15 K
• Ambient diffraction temperature: 294.9 ± 0.15 K
• Number of distinct elements: 4
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No