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Information card for entry 7234229
Preview
| Coordinates | 7234229.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H17 Br N2 |
|---|---|
| Calculated formula | C27 H17 Br N2 |
| Title of publication | Aggregation-enhanced emissive mechanofluorochromic carbazole-halogen positional isomers: tunable fluorescence via conformational polymorphism and crystallization-induced fluorescence switching |
| Authors of publication | Gayathri, Parthasarathy; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 43 |
| Pages of publication | 6604 |
| a | 15.974 ± 0.003 Å |
| b | 15.801 ± 0.003 Å |
| c | 7.996 ± 0.0016 Å |
| α | 90° |
| β | 98.1 ± 0.03° |
| γ | 90° |
| Cell volume | 1998.1 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0421 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0902 |
| Weighted residual factors for all reflections included in the refinement | 0.0936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.6 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234229.cif |
| 223535 | 2019-11-07 | cif/ Updating files of 7234221, 7234222, 7234223, 7234224, 7234225, 7234226, 7234227, 7234228, 7234229, 7234230, 7234231 Original log message: Adding full bibliography for 7234221--7234231.cif. |
7234229.cif |
| 218891 | 2019-09-28 | cif/ Adding structures of 7234221, 7234222, 7234223, 7234224, 7234225, 7234226, 7234227, 7234228, 7234229, 7234230, 7234231 via cif-deposit CGI script. |
7234229.cif |
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Users of the data should acknowledge the original authors of the
structural data.