Information card for entry 4105668

Structure parameters

• Formula: C28 H40 B F4 N P Rh
• Calculated formula: C28 H40 B F4 N P Rh
• SMILES: [Rh]1234567([P](c8c([c]96[cH]5[cH]4[cH]3[cH]2[c]19N(C)C)cccc8)(C1CCCCC1)C1CCCCC1)[CH2]=[CH2]7.[B](F)(F)(F)[F-]
• Title of publication: Rhodium Phosphine-π-Arene Intermediates in the Hydroamination of Alkenes
• Authors of publication: Zhijian Liu; Hideaki Yamamichi; Sherzod T. Madrahimov; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 2772 - 2782
• a: 9.1929 ± 0.0005 Å
• b: 9.2239 ± 0.0004 Å
• c: 17.1717 ± 0.0009 Å
• α: 96.05 ± 0.003°
• β: 104.776 ± 0.003°
• γ: 101.491 ± 0.003°
• Cell volume: 1360.82 ± 0.12 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No