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Information card for entry 7241400
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| Coordinates | 7241400.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2,3-Dibromo-N,N-dimethyl-N,N-diphenylfumaramide |
|---|---|
| Formula | C18 H16 Br2 N2 O2 |
| Calculated formula | C18 H16 Br2 N2 O2 |
| Title of publication | Crystallization-Induced Room-Temperature Phosphorescence in Fumaramides |
| Authors of publication | Nitti, Andrea; Botta, Chiara; Forni, Alessandra; Cariati, Elena; Lucenti, Elena; Pasini, Dario |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 6.4413 ± 0.0005 Å |
| b | 11.5184 ± 0.001 Å |
| c | 12.4869 ± 0.0011 Å |
| α | 90° |
| β | 102.852 ± 0.0013° |
| γ | 90° |
| Cell volume | 903.24 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0402 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0669 |
| Weighted residual factors for all reflections included in the refinement | 0.0713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258409 (current) | 2020-10-15 | cif/ Adding structures of 7241400, 7241401 via cif-deposit CGI script. |
7241400.cif |
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