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Information card for entry 7233496
Preview
| Coordinates | 7233496.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H30 N2 |
|---|---|
| Calculated formula | C47.892 H29.91 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 | 8.1522 ± 0.0002 Å |
| b | 26.7993 ± 0.0007 Å |
| c | 16.6605 ± 0.0004 Å |
| α | 90° |
| β | 95.25 ± 0.001° |
| γ | 90° |
| Cell volume | 3624.6 ± 0.16 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 3 |
| 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 | 0.1076 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.1814 |
| Weighted residual factors for all reflections included in the refinement | 0.1977 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217759 (current) | 2019-08-27 | cif/ Adding structures of 7233496 via cif-deposit CGI script. |
7233496.cif |
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Users of the data should acknowledge the original authors of the
structural data.