Information card for entry 1546927

Structure parameters

• Formula: C44 H46 Cl2 F6 N4 O3 P Rh
• Calculated formula: C44 H46 Cl2 F6 N4 O3 P Rh
• SMILES: [Rh]123([O]=C(/C=C/C)n4[n]1c(cc4C)C)([n]1c(oc4ccc(cc14)C(C)(C)C)c1c2cccc1)[n]1c(oc2ccc(cc12)C(C)(C)C)c1c3cccc1.ClCCl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Combining the catalytic enantioselective reaction of visible-light-generated radicals with a by-product utilization system
• Authors of publication: Huang, Xiaoqiang; Luo, Shipeng; Burghaus, Olaf; Webster, Richard D.; Harms, Klaus; Meggers, Eric
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 11.9931 ± 0.0005 Å
• b: 13.7713 ± 0.0006 Å
• c: 14.7325 ± 0.0006 Å
• α: 89.48 ± 0.001°
• β: 67.088 ± 0.001°
• γ: 79.592 ± 0.001°
• Cell volume: 2199.33 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No