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Information card for entry 7217845
Preview
| Coordinates | 7217845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H14 N2 O5 |
|---|---|
| Calculated formula | C20 H14 N2 O5 |
| SMILES | O(c1c2c3c(C(=O)N(C(=O)c3cc1)CC)ccc2)c1ccc(N(=O)=O)cc1 |
| Title of publication | Fine-tuning solid-state luminescence in NPIs (1,8-naphthalimides): impact of the molecular environment and cumulative interactions. |
| Authors of publication | Mukherjee, Sanjoy; Thilagar, Pakkirisamy |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 38 |
| Pages of publication | 20866 - 20877 |
| a | 13.916 ± 0.005 Å |
| b | 11.329 ± 0.004 Å |
| c | 10.53 ± 0.004 Å |
| α | 90° |
| β | 98.067 ± 0.007° |
| γ | 90° |
| Cell volume | 1643.7 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.11 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1161 |
| Weighted residual factors for all reflections included in the refinement | 0.1397 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7217845.cif |
| 180509 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/78. |
7217845.cif |
| 124927 | 2014-10-06 | cif/ Updating files of 7217843, 7217844, 7217845 Original log message: Adding full bibliography for 7217843--7217845.cif. |
7217845.cif |
| 122616 | 2014-08-30 | cif/ Adding structures of 7217843, 7217844, 7217845 via cif-deposit CGI script. |
7217845.cif |
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Users of the data should acknowledge the original authors of the
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