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Information card for entry 7032277
Preview
Coordinates | 7032277.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H39 B N2 O |
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Calculated formula | C30 H39 B N2 O |
SMILES | C1(=[B](CC)(CC)CC)N(CCN1CC(=O)c1cc2c(cc1)cccc2)c1c(cc(cc1C)C)C |
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 | 8.172 ± 0.0004 Å |
b | 8.6088 ± 0.0003 Å |
c | 20.051 ± 0.0008 Å |
α | 81.502 ± 0.003° |
β | 84.547 ± 0.004° |
γ | 68.047 ± 0.004° |
Cell volume | 1292.75 ± 0.1 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1111 |
Residual factor for significantly intense reflections | 0.0892 |
Weighted residual factors for significantly intense reflections | 0.2534 |
Weighted residual factors for all reflections included in the refinement | 0.274 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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