Information card for entry 4105727

Structure parameters

• Formula: C46.5 H49 B F10 N P
• Calculated formula: C46.5 H49 B F10 N P
• Title of publication: Reaction of Aminodihydropentalenes with HB(C6F5)2: The Crucial Role of Dihydrogen Elimination
• Authors of publication: Bao-Hua Xu; Gerald Kehr; Roland Fröhlich; Stefan Grimme; Gerhard Erker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 3480 - 3491
• a: 10.6333 ± 0.0003 Å
• b: 11.1091 ± 0.0005 Å
• c: 19.329 ± 0.0011 Å
• α: 101.818 ± 0.006°
• β: 98.509 ± 0.002°
• γ: 98.229 ± 0.003°
• Cell volume: 2174.5 ± 0.18 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0606
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No