Information card for entry 4029732

Structure parameters

• Formula: C18 H22 O2 Si
• Calculated formula: C18 H22 O2 Si
• SMILES: [Si]1(c2ccccc2[C@@H](OC)[C@H](OC)c2ccccc12)(C)C
• Title of publication: Directed ortho,ortho'-dimetalation of hydrobenzoin: Rapid access to hydrobenzoin derivatives useful for asymmetric synthesis.
• Authors of publication: Cho, Inhee; Meimetis, Labros; Belding, Lee; Katz, Michael J.; Dudding, Travis; Britton, Robert
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2011
• Journal volume: 7
• Pages of publication: 1315 - 1322
• a: 6.8215 ± 0.0001 Å
• b: 13.434 ± 0.0003 Å
• c: 17.9267 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1642.8 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0427
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for all reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections included in the refinement: 0.0342
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7515
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No