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Information card for entry 7241401
Preview
| Coordinates | 7241401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | N, N-dimethyl-N, N-diphenylfumaramide |
|---|---|
| Formula | C18 H18 N2 O2 |
| Calculated formula | C18 H18 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 | 18.21 ± 0.02 Å |
| b | 7.066 ± 0.008 Å |
| c | 19.77 ± 0.02 Å |
| α | 90° |
| β | 110.968 ± 0.01° |
| γ | 90° |
| Cell volume | 2375 ± 4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.221 |
| Residual factor for significantly intense reflections | 0.0898 |
| Weighted residual factors for significantly intense reflections | 0.2022 |
| Weighted residual factors for all reflections included in the refinement | 0.2795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241401.cif |
| 258409 | 2020-10-15 | cif/ Adding structures of 7241400, 7241401 via cif-deposit CGI script. |
7241401.cif |
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Users of the data should acknowledge the original authors of the
structural data.