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Information card for entry 7234424
Preview
| Coordinates | 7234424.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H36 Cl2 N4 O2 |
|---|---|
| Calculated formula | C52.999 H35.998 Cl1.998 N4 O2 |
| Title of publication | 4-Diphenylamino-phenyl substituted pyrazine: nonlinear optical switching by protonation |
| Authors of publication | Liang Xu; Hai Zhu; Guankui Long; Jun Zhao; Dongsheng Li; Rakesh Ganguly; Yongxin Li; Qing-Hua Xu; Qichun Zhang |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 9191 - 9196 |
| a | 16.7483 ± 0.0017 Å |
| b | 8.8132 ± 0.0011 Å |
| c | 28.185 ± 0.003 Å |
| α | 90° |
| β | 95.889 ± 0.003° |
| γ | 90° |
| Cell volume | 4138.3 ± 0.8 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 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 | 0.1935 |
| Residual factor for significantly intense reflections | 0.0925 |
| Weighted residual factors for significantly intense reflections | 0.2623 |
| Weighted residual factors for all reflections included in the refinement | 0.3381 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219131 (current) | 2019-10-07 | cif/ Adding structures of 7234422, 7234423, 7234424 via cif-deposit CGI script. |
7234424.cif |
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Users of the data should acknowledge the original authors of the
structural data.