Information card for entry 4112278

Structure parameters

• Formula: C42 H49 Cl2 F12 O P2 Rh Sb2
• Calculated formula: C42 H47 Cl2 F12 O P2 Rh Sb2
• Title of publication: The Complete Characterization of a Rhodium Lewis Acid-Dipolarophile Complex as an Intermediate for the Enantioselective Catalytic 1,3-Dipolar Cycloaddition of C,N-Diphenylnitrone to Methacrolein
• Authors of publication: Daniel Carmona; M. Pilar Lamata; Fernando Viguri; Ricardo Rodríguez; Luis A. Oro; Ana I. Balana; Fernando J. Lahoz; Tomás Tejero; Pedro Merino; Santiago Franco; Isabel Montesa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 2716 - 2717
• a: 13.6002 ± 0.0014 Å
• b: 13.6002 ± 0.0014 Å
• c: 51.477 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9521 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.335
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No