Information card for entry 1502866

Structure parameters

• Formula: C20 H23 Cl N2 O6 Si
• Calculated formula: C20 H23 Cl N2 O6 Si
• SMILES: [C@H](C[C@@H](CCl)OC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O)(c1ccccc1)[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: 11.058 ± 0.0006 Å
• b: 6.1283 ± 0.0003 Å
• c: 16.6542 ± 0.0008 Å
• α: 90°
• β: 103.318 ± 0.001°
• γ: 90°
• Cell volume: 1098.25 ± 0.1 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No