Information card for entry 1502864

Structure parameters

• Formula: C14 H22 O S Si
• Calculated formula: C14 H22 O S Si
• SMILES: [C@H]([C@@H]([C@H]1CO1)C)(Sc1ccccc1)[Si](C)(C)C
• Title of publication: Benzyl and phenylthiomethyl silanes: a new class of bifunctional linchpins for type II anion relay chemistry (ARC).
• Authors of publication: Smith, 3rd, Amos B; Tong, Rongbiao
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1260 - 1263
• a: 6.5761 ± 0.0011 Å
• b: 7.7174 ± 0.0014 Å
• c: 29.566 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1500.5 ± 0.5 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 5
• 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: 0.0362
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No