Information card for entry 4135101

Structure parameters

• Formula: C134 H128 O18 P4 Rh2
• Calculated formula: C134 H128 O18 P4 Rh2
• SMILES: [Rh]1234([Rh]([O]=P5(O1)Oc1c6C7(CCc6cc(c1)c1cc(cc(c1)C)C)c1c(O5)cc(cc1CC7)c1cc(cc(c1)C)C)([O]=P1(O2)Oc2c5C6(CCc5cc(c2)c2cc(cc(c2)C)C)c2c(O1)cc(cc2CC6)c1cc(cc(c1)C)C)(OP1(=[O]3)Oc2c3C5(CCc3cc(c2)c2cc(cc(c2)C)C)c2c(O1)cc(cc2CC5)c1cc(cc(c1)C)C)(OP1(=[O]4)Oc2c3C4(CCc3cc(c2)c2cc(cc(c2)C)C)c2c(O1)cc(cc2CC4)c1cc(cc(c1)C)C)[OH]C)[OH]C
• Title of publication: Enantioselective Diarylcarbene Insertion into Si-H Bonds Induced by Electronic Properties of the Carbenes.
• Authors of publication: Yang, Liang-Liang; Evans, Declan; Xu, Bin; Li, Wen-Tao; Li, Mao-Lin; Zhu, Shou-Fei; Houk, K. N.; Zhou, Qi-Lin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 14.423 ± 0.003 Å
• b: 28.903 ± 0.006 Å
• c: 31.726 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13226 ± 5 ų
• Cell temperature: 127.15 K
• Ambient diffraction temperature: 127.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.1017
• Weighted residual factors for significantly intense reflections: 0.2024
• Weighted residual factors for all reflections included in the refinement: 0.2163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No