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Information card for entry 7218498
Preview
| Coordinates | 7218498.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H11 Br F N O |
|---|---|
| Calculated formula | C13 H11 Br F N O |
| Title of publication | Solid-state photoreactivity of 9-substituted acridizinium bromide salts |
| Authors of publication | Stratford, Samuel A.; Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Jones, William |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 47 |
| Pages of publication | 10830 |
| a | 10.4896 ± 0.0004 Å |
| b | 12.9381 ± 0.0005 Å |
| c | 9.9423 ± 0.0003 Å |
| α | 90° |
| β | 117.876 ± 0.003° |
| γ | 90° |
| Cell volume | 1192.75 ± 0.08 Å3 |
| Cell temperature | 270 ± 2 K |
| Ambient diffraction temperature | 270 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0643 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0988 |
| Weighted residual factors for all reflections included in the refinement | 0.1032 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7218498.cif |
| 180515 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/84. |
7218498.cif |
| 128363 | 2014-12-06 | cif/ Updating files of 7218498, 7218499, 7218500, 7218501, 7218502, 7218503, 7218504, 7218505 Original log message: Adding full bibliography for 7218498--7218505.cif. |
7218498.cif |
| 125444 | 2014-10-16 | cif/ Adding structures of 7218498, 7218499, 7218500, 7218501, 7218502, 7218503, 7218504, 7218505 via cif-deposit CGI script. |
7218498.cif |
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Users of the data should acknowledge the original authors of the
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