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Information card for entry 7234419
Preview
| Coordinates | 7234419.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H10 B Cl F2 N4 O5 |
|---|---|
| Calculated formula | C14 H10 B Cl F2 N4 O5 |
| SMILES | c12ccccn1cc1c3c([nH+]c4ccccn34)O[B](F)(F)[n]21.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Morphology-controllable fabrication of organic microcrystals by solid-phase reactions: revealing morphology-sensitive highly efficient phosphorescence and enhanced near-infrared absorption |
| Authors of publication | Guo-Ping Yong; Chen Shen; Cong Zhang; Yu-Mei Zhao |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 9048 - 9052 |
| a | 20.522 ± 0.004 Å |
| b | 5.1557 ± 0.0009 Å |
| c | 15.049 ± 0.003 Å |
| α | 90° |
| β | 97.992 ± 0.002° |
| γ | 90° |
| Cell volume | 1576.8 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0492 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.113 |
| Weighted residual factors for all reflections included in the refinement | 0.1281 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7234419.cif |
| 219128 | 2019-10-07 | cif/ Adding structures of 7234418, 7234419 via cif-deposit CGI script. |
7234419.cif |
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Users of the data should acknowledge the original authors of the
structural data.