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Information card for entry 7226883
Preview
| Coordinates | 7226883.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H20 N2 O7 |
|---|---|
| Calculated formula | C22 H20 N2 O7 |
| SMILES | c1(ccc2c(c1)C(=O)N(C2=O)CCCO)Oc1ccc2c(c1)C(=O)N(C2=O)CCCO |
| Title of publication | V-shaped oxydiphthalimides: side-chain engineering regulates crystallisation-induced emission enhancement |
| Authors of publication | Gopan, Gopika; Salini, P. S.; Deb, Somadrita; Hariharan, Mahesh |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 3 |
| Pages of publication | 419 |
| a | 16.685 ± 0.0005 Å |
| b | 5.027 ± 0.0002 Å |
| c | 22.863 ± 0.0007 Å |
| α | 90° |
| β | 96.02 ± 0.002° |
| γ | 90° |
| Cell volume | 1907.07 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0421 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7226883.cif |
| 191562 | 2017-02-04 | cif/ Updating files of 7226883, 7226884, 7226885, 7226886, 7226887 Original log message: Adding full bibliography for 7226883--7226887.cif. |
7226883.cif |
| 187532 | 2016-10-25 | cif/ Adding structures of 7226883, 7226884, 7226885, 7226886, 7226887 via cif-deposit CGI script. |
7226883.cif |
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Users of the data should acknowledge the original authors of the
structural data.