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Information card for entry 2011302
Preview
| Coordinates | 2011302.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | N-methyl-4'-methoxy-4-stilbazolium tetraphenylborate |
|---|---|
| Chemical name | 4-[2-(4-methoxyphenyl)ethenyl]-N-methylpyridinum tetraphenylborate |
| Formula | C39 H36 B N O |
| Calculated formula | C39 H36 B N O |
| SMILES | O(c1ccc(/C=C/c2cc[n+](C)cc2)cc1)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | 4-[2-(4-Methoxyphenyl)ethenyl]-<i>N</i>-methylpyridinium tetraphenylborate |
| Authors of publication | Li, Shu-Jin; Zhang, De-Chun; Huang, Zhong-Lin; Zhang, Yan-Qiu; Yu, Kai-Bei |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 9 |
| Pages of publication | 1122 - 1123 |
| a | 13.029 ± 0.002 Å |
| b | 10.819 ± 0.002 Å |
| c | 21.66 ± 0.003 Å |
| α | 90° |
| β | 99.16 ± 0.01° |
| γ | 90° |
| Cell volume | 3014.3 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.07 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.868 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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