Information card for entry 4130873

Structure parameters

• Common name: hxqC31
• Formula: C52 H47 N4 O Rh S2
• Calculated formula: C52 H47 N4 O Rh S2
• Title of publication: Asymmetric Catalysis with Organic Azides and Diazo Compounds Initiated by Photoinduced Electron Transfer.
• Authors of publication: Huang, Xiaoqiang; Webster, Richard D.; Harms, Klaus; Meggers, Eric
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 38
• Pages of publication: 12636 - 12642
• a: 11.6759 ± 0.0005 Å
• b: 23.0296 ± 0.0009 Å
• c: 16.4573 ± 0.0007 Å
• α: 90°
• β: 92.66 ± 0.001°
• γ: 90°
• Cell volume: 4420.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No