Information card for entry 1548872

Structure parameters

• Formula: C15 H12 F6 N O P
• Calculated formula: C15 H12 F6 N O P
• Title of publication: Tailored trisubstituted chiral Cp ^<i>x</i> Rh^III catalysts for kinetic resolutions of phosphinic amides.
• Authors of publication: Sun, Y.; Cramer, N.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 2981 - 2985
• a: 10.17707 ± 0.00014 Å
• b: 8.43885 ± 0.00015 Å
• c: 18.8541 ± 0.0003 Å
• α: 90°
• β: 101.724 ± 0.0015°
• γ: 90°
• Cell volume: 1585.46 ± 0.04 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No