Information card for entry 4124933

Structure parameters

• Formula: C62 H78 N3 O P Si3
• Calculated formula: C62 H78 N3 O P Si3
• SMILES: [Si@@H]1(O[SiH](c2ccccc2)c2ccccc2)N(C2=C(P3(N([Si](N3C(C)(C)C)(C)C)C(C)(C)C)=C([C@H]([C@H]1c1ccccc1)c1ccccc1)c1ccccc1)[C@@H]1CC[C@H]2C1)c1c(cccc1C(C)C)C(C)C.[Si@H]1(O[SiH](c2ccccc2)c2ccccc2)N(C2=C(P3(N([Si](N3C(C)(C)C)(C)C)C(C)(C)C)=C([C@@H]([C@@H]1c1ccccc1)c1ccccc1)c1ccccc1)[C@H]1CC[C@@H]2C1)c1c(cccc1C(C)C)C(C)C
• Title of publication: Donor-Stabilized Silacyclobutanone: A Precursor of 1-Silaketene via Retro-[2 + 2]-Cycloaddition Reaction at Room Temperature.
• Authors of publication: Troadec, Thibault; Lopez Reyes, Morelia; Rodriguez, Ricardo; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 9
• Pages of publication: 2965 - 2968
• a: 19.603 ± 0.004 Å
• b: 13.44 ± 0.003 Å
• c: 22.585 ± 0.004 Å
• α: 90°
• β: 110.951 ± 0.008°
• γ: 90°
• Cell volume: 5557 ± 2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1453
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No