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Information card for entry 7227293
Preview
| Coordinates | 7227293.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H21 N |
|---|---|
| Calculated formula | C28 H21 N |
| SMILES | c1(c2ccccc2ccc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1 |
| Title of publication | Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties |
| Authors of publication | Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 5 |
| Pages of publication | 817 |
| a | 15.4053 ± 0.0003 Å |
| b | 7.6463 ± 0.0002 Å |
| c | 17.3621 ± 0.0004 Å |
| α | 90° |
| β | 100.301 ± 0.001° |
| γ | 90° |
| Cell volume | 2012.18 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0713 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1266 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| 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. |
7227293.cif |
| 191569 | 2017-02-04 | cif/ Updating files of 7227288, 7227289, 7227290, 7227291, 7227292, 7227293 Original log message: Adding full bibliography for 7227288--7227293.cif. |
7227293.cif |
| 189255 | 2016-12-20 | cif/ Adding structures of 7227288, 7227289, 7227290, 7227291, 7227292, 7227293 via cif-deposit CGI script. |
7227293.cif |
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Users of the data should acknowledge the original authors of the
structural data.