Information card for entry 4111501

Structure parameters

• Formula: C44 H52 Cl4 F6 N4 P Rh
• Calculated formula: C44 H52 Cl4 F6 N4 P Rh
• Title of publication: Imidazo[1,5-a]pyridine: A Versatile Architecture for Stable N-Heterocyclic Carbenes
• Authors of publication: Manuel Alcarazo; Stephen J. Roseblade; Andrew R. Cowley; Rosario Fernández; John M. Brown; José M. Lassaletta
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 3290 - 3291
• a: 12.0824 ± 0.0002 Å
• b: 21.391 ± 0.0002 Å
• c: 34.5673 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8934.1 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No