Information card for entry 4032206

Structure parameters

• Common name: 12246c
• Formula: C55 H45 Cl N O5 P2 Rh
• Calculated formula: C55 H45 Cl N O5 P2 Rh
• SMILES: [Rh]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[O]=C(OO1)(c1cccc3ccc[n]2c13)c1ccccc1OCC(=O)C
• Title of publication: Development and Mechanistic Study of Quinoline-Directed Acyl C-O Bond Activation and Alkene Oxyacylation Reactions.
• Authors of publication: Hoang, Giang T.; Walsh, Dylan J.; McGarry, Kathryn A.; Anderson, Constance B.; Douglas, Christopher J.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 6
• Pages of publication: 2972 - 2983
• a: 19.003 ± 0.0011 Å
• b: 23.7576 ± 0.0013 Å
• c: 10.0893 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4555 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No