Information card for entry 7124754

Structure parameters

• Formula: C48.4 H49.6 Cl2 F6 N4 O P Rh S2
• Calculated formula: C48.4 H49.6 Cl2 F6 N4 O P Rh S2
• Title of publication: Enantioselective rhodium/ruthenium photoredox catalysis en route to chiral 1,2-aminoalcohols.
• Authors of publication: Ma, Jiajia; Harms, Klaus; Meggers, Eric
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 66
• Pages of publication: 10183 - 10186
• a: 17.1583 ± 0.0011 Å
• b: 17.7095 ± 0.0011 Å
• c: 18.8292 ± 0.0012 Å
• α: 66.918 ± 0.002°
• β: 69.054 ± 0.002°
• γ: 76.796 ± 0.002°
• Cell volume: 4889.7 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No