Information card for entry 4104460

Structure parameters

• Formula: C78 H88 N4 O20 Rh2
• Calculated formula: C60 H64 N4 O18 Rh2
• SMILES: [Rh]1234([Rh]([O]=C(O1)[C@@H](N1C(=O)c5ccccc5C1=O)C(C)(C)C)(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)[O]=C(OCC)C
• Title of publication: Chiral Crown Conformation of Rh2(S-PTTL)4: Enantioselective Cyclopropanation with α-Alkyl-α-diazoesters
• Authors of publication: Andrew DeAngelis; Olga Dmitrenko; Glenn P. A. Yap; Joseph M. Fox
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 7230 - 7231
• a: 14.182 ± 0.004 Å
• b: 20.088 ± 0.006 Å
• c: 28.868 ± 0.009 Å
• α: 90°
• β: 96.456 ± 0.006°
• γ: 90°
• Cell volume: 8172 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1229
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No