Information card for entry 4029733

Structure parameters

• Formula: C18 H22 O2 Si2
• Calculated formula: C18 H22 O2 Si2
• SMILES: [Si]1(O[C@H]2[C@H](O[Si](C)(C)c3ccccc23)c2c1cccc2)(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: 8.855 ± 0.004 Å
• b: 28.605 ± 0.014 Å
• c: 11.19 ± 0.005 Å
• α: 90°
• β: 96.194 ± 0.007°
• γ: 90°
• Cell volume: 2818 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.17
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for all reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.0267
• Weighted residual factors for all reflections included in the refinement: 0.0267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No