Information card for entry 1515224

Structure parameters

• Formula: C68 H75 N3 O17 Rh2
• Calculated formula: C68 H75 N3 O17 Rh2
• SMILES: [Rh]1234([Rh]([O]=C(O1)C(c1ccccc1)(c1ccccc1)c1ccccc1)(OC(=[O]2)[C@@H](N1C(=O)c2ccccc2C1=O)C(C)(C)C)([O]=C(O3)[C@@H](N1C(=O)c2ccccc2C1=O)C(C)(C)C)(OC(=[O]4)[C@@H](N1C(=O)c2ccccc2C1=O)C(C)(C)C)[OH]CC)[OH]CC.OCC
• Title of publication: Rh(2)(S-PTTL)(3)TPA-A Mixed Ligand Dirhodium(II) Catalyst for Enantioselective Reactions of α-Alkyl-α-Diazoesters.
• Authors of publication: Boruta, David T.; Dmitrenko, Olga; Yap, Glenn P. A.; Fox, Joseph M.
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 1589 - 1593
• a: 9.957 ± 0.002 Å
• b: 21.918 ± 0.005 Å
• c: 15.524 ± 0.003 Å
• α: 90°
• β: 104.837 ± 0.003°
• γ: 90°
• Cell volume: 3275 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No