Information card for entry 4133718

Structure parameters

• Formula: C48 H71 N3 Si2
• Calculated formula: C48 H71 N3 Si2
• SMILES: [Si@@]1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(N=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)C=C[C@@H]1c1ccccc1.[Si@]1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(N=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)C=C[C@H]1c1ccccc1
• Title of publication: Heavier Carbonyl Olefination: The Sila-Wittig Reaction.
• Authors of publication: Reiter, Dominik; Frisch, Philipp; Szilvási, Tibor; Inoue, Shigeyoshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 42
• Pages of publication: 16991 - 16996
• a: 19.5253 ± 0.0016 Å
• b: 11.8248 ± 0.0009 Å
• c: 19.9542 ± 0.0016 Å
• α: 90°
• β: 99.975 ± 0.003°
• γ: 90°
• Cell volume: 4537.4 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No