Information card for entry 1518355

Structure parameters

• Formula: C32 H44 K N2 O13 Rh
• Calculated formula: C32 H44 K N2 O13 Rh
• SMILES: [Rh]1234([O]5c6c([CH]2=[CH2]1)cc(N(=O)=O)cc6)[O](c1c([CH]4=[CH2]3)cc(N(=O)=O)cc1)[K]512346[O]5CC[O]1CC[O]2CC[O]3CC[O]4CC[O]6CC5.O1CCCC1
• Title of publication: Mechanistic insights into hydroacylation with non-chelating aldehydes
• Authors of publication: Murphy, Stephen K.; Bruch, Achim; Dong, Vy M.
• Journal of publication: Chemical Science
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 174 - 180
• a: 13.6052 ± 0.0006 Å
• b: 19.6523 ± 0.0009 Å
• c: 14.3113 ± 0.0007 Å
• α: 90°
• β: 105.559 ± 0.0005°
• γ: 90°
• Cell volume: 3686.2 ± 0.3 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No