Information card for entry 7110903

Structure parameters

• Formula: C31 H30 O2 Si
• Calculated formula: C31 H30 O2 Si
• SMILES: [Si@](Oc1c(c2c(cc1)cccc2)c1c(O)ccc2ccccc12)(C)(C(C)(C)C)c1ccccc1
• Title of publication: Preparation of optically active n-butyl(methyl)phenyl-, tert-butyl(methyl)phenyl- and isopropyl(methyl)phenylsilanes from the corresponding silyl chlorides using 2,2′-dihydroxy-1,1′-binaphthyls as resolving agents
• Authors of publication: Jankowski, Paweł; Wicha, Jerzy; Zarecki, Andrzej; Schaumann, Ernst; Adiwidjaja, Gunadi; Asztemborska, Monika
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 12
• Pages of publication: 1029
• a: 8.353 ± 0.001 Å
• b: 13.317 ± 0.001 Å
• c: 23.533 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2617.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0356
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.561
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No