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Information card for entry 7037065
Preview
Coordinates | 7037065.cif |
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Original paper (by DOI) | HTML |
Formula | C37 H29 B F10 N2 |
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Calculated formula | C37 H29 B F10 N2 |
SMILES | [B]([n]1ccc(N(C)C)cc1)(C1C=C(c2c1cccc2)C(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.c1ccccc1 |
Title of publication | Stabilized borata-alkene formation: structural features, reactions and the role of the counter cation. |
Authors of publication | Kohrt, Sonja; Dachwitz, Steffen; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 48 |
Pages of publication | 21032 - 21040 |
a | 14.5937 ± 0.0004 Å |
b | 15.5767 ± 0.0005 Å |
c | 15.1672 ± 0.0004 Å |
α | 90° |
β | 109.289 ± 0.001° |
γ | 90° |
Cell volume | 3254.29 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0467 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for significantly intense reflections | 0.1071 |
Weighted residual factors for all reflections included in the refinement | 0.1111 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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