Information card for entry 4516703

Structure parameters

• Formula: C48 H53 O12 P2 Rh
• Calculated formula: C48 H53 O12 P2 Rh
• SMILES: C1(=CC(=[O][Rh](O1)([P@@]1(OC(=O)c2c(cccc2)O1)Oc1ccc(cc1C(C)(C)C)OC)[P@@]1(OC(=O)c2c(cccc2)O1)Oc1ccc(cc1C(C)(C)C)OC)C)C.c1(ccccc1)C.C1(=CC(=[O][Rh](O1)([P@]1(OC(=O)c2c(cccc2)O1)Oc1ccc(cc1C(C)(C)C)OC)[P@]1(OC(=O)c2c(cccc2)O1)Oc1ccc(cc1C(C)(C)C)OC)C)C.c1(ccccc1)C
• Title of publication: Hydrolysis Stability of Bidentate Phosphites Utilized as Modifying Ligands in the Rh-Catalyzedn-Regioselective Hydroformylation of Olefins
• Authors of publication: Zhang, Baoxin; Jiao, Haijun; Michalik, Dirk; Kloß, Svenja; Deter, Lisa Marie; Selent, Detlef; Spannenberg, Anke; Franke, Robert; Börner, Armin
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 7554
• a: 10.8599 ± 0.0003 Å
• b: 15.1287 ± 0.0004 Å
• c: 15.5406 ± 0.0004 Å
• α: 102.742 ± 0.0006°
• β: 101.78 ± 0.0007°
• γ: 100.56 ± 0.0006°
• Cell volume: 2367.22 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No