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Information card for entry 2203671
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| Coordinates | 2203671.cif |
|---|---|
| Structure factors | 2203671.hkl |
| Original IUCr paper | HTML |
| Chemical name | 9,10-Bis(propylammoniomethyl)anthracene dichloride |
|---|---|
| Formula | C22 H30 Cl2 N2 |
| Calculated formula | C22 H30 Cl2 N2 |
| SMILES | [Cl-].[Cl-].[NH2+](CCC)Cc1c2ccccc2c(c2ccccc12)C[NH2+]CCC |
| Title of publication | 9,10-Bis(propylammoniomethyl)anthracene dichloride |
| Authors of publication | Liu, Qing-Xing; Song, Hai-bin; Li, Zheng-ming |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 5 |
| Pages of publication | o777 - o778 |
| a | 8.34 ± 0.003 Å |
| b | 14.467 ± 0.005 Å |
| c | 17.675 ± 0.006 Å |
| α | 90° |
| β | 94.2 ± 0.008° |
| γ | 90° |
| Cell volume | 2126.8 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1968 |
| Residual factor for significantly intense reflections | 0.0597 |
| Weighted residual factors for significantly intense reflections | 0.1319 |
| Weighted residual factors for all reflections included in the refinement | 0.1751 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.856 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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