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Information card for entry 7242027
Preview
| Coordinates | 7242027.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H20 N4 O4 |
|---|---|
| Calculated formula | C36 H20 N4 O4 |
| Title of publication | Functionalized naphthalenediimide based supramolecular charge-transfer complexes via self-assembly and their photophysical properties |
| Authors of publication | Rani, Pooja; Husain, Ahmad; Shukla, Ananya; Singla, Neha; Srivastava, Ankit Kumar; Kumar, Gulshan; Bhasin, K. K.; Kumar, Girijesh |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 8 |
| Pages of publication | 1859 - 1869 |
| a | 13.1438 ± 0.0007 Å |
| b | 17.2839 ± 0.001 Å |
| c | 17.6953 ± 0.0011 Å |
| α | 90° |
| β | 104.028 ± 0.006° |
| γ | 90° |
| Cell volume | 3900.1 ± 0.4 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 | 0.199 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1304 |
| Weighted residual factors for all reflections included in the refinement | 0.1682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.866 |
| Diffraction radiation probe | x-ray |
| 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. |
7242027.cif |
| 262556 | 2021-03-05 | cif/ Updating files of 7242027, 7242028, 7242029 Original log message: Adding full bibliography for 7242027--7242029.cif. |
7242027.cif |
| 260853 | 2021-01-08 | cif/ Adding structures of 7242027, 7242028, 7242029 via cif-deposit CGI script. |
7242027.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.