Information card for entry 4103063

Structure parameters

• Formula: C48 H72 Cl3 N3 P Rh Si
• Calculated formula: C48 H72 Cl3 N3 P Rh Si
• SMILES: [CH]12=[CH]3CC[CH]4=[CH](CC1)[Rh]234([P@@]12C(=C(CC)[Si@@](c3ccccc3)(N(C3=C1[C@H]1C[C@@H]3CC1)c1c(cccc1C(C)C)C(C)C)N(CCN2C(C)C)C(C)C)CC)Cl.C(Cl)Cl.[CH]12=[CH]3CC[CH]4=[CH](CC1)[Rh]234([P@]12C(=C(CC)[Si@](c3ccccc3)(N(C3=C1[C@@H]1C[C@H]3CC1)c1c(cccc1C(C)C)C(C)C)N(CCN2C(C)C)C(C)C)CC)Cl.C(Cl)Cl
• 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: 10.2915 ± 0.0002 Å
• b: 14.4688 ± 0.0002 Å
• c: 17.2543 ± 0.0003 Å
• α: 108.789 ± 0.001°
• β: 100.115 ± 0.001°
• γ: 92.699 ± 0.001°
• Cell volume: 2379.69 ± 0.07 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No