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Information card for entry 4105728
Preview
Coordinates | 4105728.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H18 B F10 N |
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Calculated formula | C24 H18 B F10 N |
SMILES | [N+](=C1C2C(C=CC=2C(C1)(C)C)[BH](c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C)C |
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 | 19.5277 ± 0.0008 Å |
b | 6.5056 ± 0.0003 Å |
c | 18.7809 ± 0.0006 Å |
α | 90° |
β | 112.021 ± 0.002° |
γ | 90° |
Cell volume | 2211.85 ± 0.16 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0532 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.114 |
Weighted residual factors for all reflections included in the refinement | 0.1214 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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