Information card for entry 4104254

Structure parameters

• Formula: C12 H26 O6 Si
• Calculated formula: C12 H26 O6 Si
• SMILES: [Si](O[C@@]1(O)[C@H](O)C[C@@H](O)C(=O)C1)(C)(C)C(C)(C)C.O
• Title of publication: A Method for the Preparation of Differentiatedtrans-1,2-Diol Derivatives with Enantio- and Diastereocontrol
• Authors of publication: Sang Min Lim; Nicholas Hill; Andrew G. Myers
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 5763 - 5765
• a: 6.705 ± 0.002 Å
• b: 7.022 ± 0.002 Å
• c: 34.126 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1606.7 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0722
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No