Information card for entry 4130030

Structure parameters

• Common name: 20120034
• Formula: C44 H32 Cl2 F12 Rh2
• Calculated formula: C44 H32 Cl2 F12 Rh2
• SMILES: [Rh]1234([Cl][Rh]567([Cl]1)[C]1([C@@H]8CC[C@H]([CH]5=1)[C]6(=[CH]78)c1cc(cc(C(F)(F)F)c1)C(F)(F)F)c1ccccc1)[CH]1=[C]2([C@H]2[CH]3=[C]4([C@@H]1CC2)c1cc(C(F)(F)F)cc(c1)C(F)(F)F)c1ccccc1
• Title of publication: Rhodium(I)-Catalyzed Highly Enantioselective Insertion of Carbenoid into Si-H: Efficient Access to Functional Chiral Silanes.
• Authors of publication: Chen, Diao; Zhu, Dong-Xing; Xu, Ming-Hua
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 5
• Pages of publication: 1498 - 1501
• a: 22.5853 ± 0.0015 Å
• b: 18.2181 ± 0.0013 Å
• c: 22.6199 ± 0.0016 Å
• α: 90°
• β: 101.533 ± 0.004°
• γ: 90°
• Cell volume: 9119.3 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No