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Information card for entry 7032270
Preview
Coordinates | 7032270.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H27 Br N2 O |
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Calculated formula | C26 H27 Br N2 O |
SMILES | c1n(c(c(C)[n+]1CC(=O)c1ccc2ccccc2c1)C)c1c(cc(cc1C)C)C.[Br-] |
Title of publication | Protonolysis and thermolysis reactions of functionalised NHC-carbene boranes and borates. |
Authors of publication | Arnold, Polly L.; Bell, Nicola L.; Marr, Isobel H.; She, Siyi; Hamilton, Jonathan; Fraser, Craig; Wang, Kai |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 41 |
Pages of publication | 15419 - 15428 |
a | 9.7624 ± 0.0004 Å |
b | 13.2901 ± 0.0004 Å |
c | 18.1845 ± 0.0004 Å |
α | 90° |
β | 104.391 ± 0.003° |
γ | 90° |
Cell volume | 2285.29 ± 0.13 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0795 |
Residual factor for significantly intense reflections | 0.0456 |
Weighted residual factors for significantly intense reflections | 0.091 |
Weighted residual factors for all reflections included in the refinement | 0.1047 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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