Information card for entry 7106249

Structure parameters

• Formula: C55 H42 N4 Rh
• Calculated formula: C55 H41 N4 Rh
• Title of publication: Metalloradical-catalyzed rearrangement of cycloheptatrienyl to benzyl
• Authors of publication: Yun Wai Chan; Kin Shing Chan
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4802
• a: 15.4864 ± 0.0005 Å
• b: 18.7106 ± 0.0006 Å
• c: 16.4209 ± 0.0005 Å
• α: 90°
• β: 106.763 ± 0.001°
• γ: 90°
• Cell volume: 4555.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0435
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No