Information card for entry 1502863

Structure parameters

• Formula: C13 H20 O S Si
• Calculated formula: C13 H20 O S Si
• SMILES: [C@H](C[C@H]1CO1)(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: 6.5394 ± 0.0011 Å
• b: 7.6922 ± 0.0012 Å
• c: 28.463 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1431.8 ± 0.4 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: 0.0331
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No