Information card for entry 4116119

Structure parameters

• Common name: [Rh2(TBSP)4(DMF)2].0.5toluene.0.5n-pentane
• Chemical name: tetrakis[1-[(4-tert-butylphenyl)sulfonyl] -(2S)-pyrrolidinecarboxylate]dirhodium(II)
• Formula: C72 H104 N6 O18 Rh2 S4
• Calculated formula: C72 H104 N6 O18 Rh2 S4
• Title of publication: Supercritical and Liquid Solvent Effects on the Enantioselectivity of Asymmetric Cyclopropanation with Tetrakis[1-[(4-tert-butylphenyl)- sulfonyl]-(2S)-pyrrolidinecarboxylate]dirhodium(II)
• Authors of publication: Dolores C. Wynne; Marilyn M. Olmstead; Philip G. Jessop
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 7638 - 7647
• a: 10.6911 ± 0.0005 Å
• b: 24.4434 ± 0.0011 Å
• c: 29.7425 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7772.5 ± 0.6 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No