Information card for entry 4087278

Structure parameters

• Formula: C55 H44 O P3 Rh
• Calculated formula: C55 H44 O P3 Rh
• SMILES: [RhH]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)[P](c4c([C]3(=[O]2)c2c([P]1(c1ccccc1)c1ccccc1)cccc2)cccc4)(c1ccccc1)c1ccccc1
• Title of publication: Convergent (De)Hydrogenative Pathways via a Rhodium α-Hydroxylalkyl Complex
• Authors of publication: Sung, Simon; Boon, Jie Kang; Lee, Johnathan J. C.; Rajabi, Nasir A.; Macgregor, Stuart A.; Krämer, Tobias; Young, Rowan D.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 8
• Pages of publication: 1609
• a: 12.8773 ± 0.0011 Å
• b: 19.4837 ± 0.0015 Å
• c: 18.3485 ± 0.0013 Å
• α: 90°
• β: 109.692 ± 0.002°
• γ: 90°
• Cell volume: 4334.4 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1332
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections: 0.2104
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9679
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No