Information card for entry 4112180

Structure parameters

• Formula: C20 H21 B F3 N
• Calculated formula: C20 H21 B F3 N
• SMILES: C(c1c2ccccc2cc2ccccc12)(N(C)C(C)(C)C)=[B](F)(F)F
• Title of publication: Amino-Aryl-Carbenes: Alternative Ligands for Transition Metals?
• Authors of publication: Xavier Cattoën; Heinz Gornitzka; Didier Bourissou; Guy Bertrand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 1342 - 1343
• a: 12.5095 ± 0.0009 Å
• b: 13.2254 ± 0.001 Å
• c: 20.9777 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3470.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0848
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No