Information card for entry 4103062

Structure parameters

• Formula: C41 H54 N3 P Si
• Calculated formula: C41 H54 N3 P Si
• SMILES: P12N(CCN([Si@](N(C3=C1[C@H]1CC[C@@H]3C1)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)C=C2c1ccccc1)C(C)C)C(C)C.P12N(CCN([Si@@](N(C3=C1[C@@H]1CC[C@H]3C1)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)C=C2c1ccccc1)C(C)C)C(C)C
• Title of publication: Diastereoselective Synthesis of Bulky, Strongly Nucleophilic, and Configurationally Stable P-Stereogenic Tricyclic Phosphines
• Authors of publication: David Gau; Ricardo Rodriguez; Tsuyoshi Kato; Nathalie Saffon-Merceron; Antoine Baceiredo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 12841 - 12843
• a: 11.2805 ± 0.0008 Å
• b: 10.0135 ± 0.0007 Å
• c: 33.283 ± 0.002 Å
• α: 90°
• β: 93.313 ± 0.002°
• γ: 90°
• Cell volume: 3753.3 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.114
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No