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Information card for entry 7233495
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| Coordinates | 7233495.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H30 N2 |
|---|---|
| Calculated formula | C52 H30 N2 |
| Title of publication | Quinoxaline based D-A-D molecules: high contrast reversible solid-state mechano- and thermo-responsive fluorescent materials |
| Authors of publication | Rajeswara Rao M; Chia-Wei Liao; Wei-Lin Su; Shih-Sheng Sun |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2013 |
| Journal volume | 1 |
| Pages of publication | 5491 - 5501 |
| a | 25.1073 ± 0.0011 Å |
| b | 11.3157 ± 0.0005 Å |
| c | 12.0314 ± 0.0005 Å |
| α | 90° |
| β | 96.39 ± 0.002° |
| γ | 90° |
| Cell volume | 3397 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0841 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.1237 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217758 (current) | 2019-08-27 | cif/ Adding structures of 7233495 via cif-deposit CGI script. |
7233495.cif |
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Users of the data should acknowledge the original authors of the
structural data.