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Information card for entry 4516295
Preview
| Coordinates | 4516295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H6 F2 I |
|---|---|
| Calculated formula | C10 H6 F2 I |
| Title of publication | Tipping the Balance with the Aid of Stoichiometry: Room Temperature Phosphorescence versus Fluorescence in Organic Cocrystals |
| Authors of publication | d’Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Ventura, Barbara |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 4 |
| Pages of publication | 2039 |
| a | 13.25 ± 0.0017 Å |
| b | 5.759 ± 0.0007 Å |
| c | 12.6914 ± 0.0019 Å |
| α | 90° |
| β | 101.298 ± 0.014° |
| γ | 90° |
| Cell volume | 949.7 ± 0.2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.1961 |
| Residual factor for significantly intense reflections | 0.0733 |
| Weighted residual factors for significantly intense reflections | 0.0964 |
| Weighted residual factors for all reflections included in the refinement | 0.1486 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4516295.cif |
| 231230 | 2019-11-22 | cif/ Adding structures of 4516293, 4516294, 4516295, 4516296 via cif-deposit CGI script. |
4516295.cif |
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Users of the data should acknowledge the original authors of the
structural data.