Information card for entry 4121169

Structure parameters

• Formula: C50 H42 N O4 P2 Rh
• Calculated formula: C50 H42 N O4 P2 Rh
• SMILES: [Rh]1([P](c2c(cccc2)c2c([P]1(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1)([n]1ccccc1)OC(=O)c1c(cc(cc1)OC)OC
• Title of publication: Methoxy-Directed Aryl-to-Aryl 1,3-Rhodium Migration
• Authors of publication: Jing Zhang; Jun-Feng Liu; Angel Ugrinov; Anthony F. X. Pillai; Zhong-Ming Sun; Pinjing Zhao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 17270 - 17273
• a: 21.6627 ± 0.0017 Å
• b: 17.532 ± 0.0014 Å
• c: 25.769 ± 0.002 Å
• α: 90°
• β: 98.035 ± 0.002°
• γ: 90°
• Cell volume: 9690.7 ± 1.3 ų
• Cell temperature: 536 ± 2 K
• Ambient diffraction temperature: 536 ± 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: 0.0519
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No