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Information card for entry 7227290
Preview
| Coordinates | 7227290.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H23 N |
|---|---|
| Calculated formula | C32 H23 N |
| SMILES | c1(cc2c(c3c1cccc3)cccc2)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 | 7.66 ± 0.0005 Å |
| b | 14.3344 ± 0.001 Å |
| c | 21.738 ± 0.0015 Å |
| α | 87.427 ± 0.003° |
| β | 83.718 ± 0.003° |
| γ | 75.715 ± 0.003° |
| Cell volume | 2298.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0697 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1256 |
| Weighted residual factors for all reflections included in the refinement | 0.1592 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| 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. |
7227290.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. |
7227290.cif |
| 189255 | 2016-12-20 | cif/ Adding structures of 7227288, 7227289, 7227290, 7227291, 7227292, 7227293 via cif-deposit CGI script. |
7227290.cif |
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Users of the data should acknowledge the original authors of the
structural data.