Information card for entry 4133719

Structure parameters

• Formula: C48 H79 N5 Si2
• Calculated formula: C48 H79 N5 Si2
• SMILES: [Si]([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(N=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(CN1[C]N(C(=C1C)C)C)CC
• 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: 23.695 ± 0.003 Å
• b: 18.5885 ± 0.0019 Å
• c: 25.738 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11336 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No