Information card for entry 4111641

Structure parameters

• Formula: C50 H38 B F30 Ir P
• Calculated formula: C50 H27 B F30 Ir P
• Title of publication: Carbon-Fluorine Bond Activation Coupled with Carbon-Carbon Bond Formation at Iridium. Confirmation of Complete Kinetic Diastereoselectivity at the New Carbon Stereocenter by Intramolecular Trapping Using Vinyl as the Migrating Group
• Authors of publication: Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 6325 - 6334
• a: 12.1256 ± 0.0009 Å
• b: 12.5665 ± 0.0009 Å
• c: 18.2649 ± 0.0013 Å
• α: 84.388 ± 0.001°
• β: 73.367 ± 0.001°
• γ: 84.618 ± 0.001°
• Cell volume: 2647.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No