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Information card for entry 7154987
Preview
| Coordinates | 7154987.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H13 B F N |
|---|---|
| Calculated formula | C18 H13 B F N |
| Title of publication | Innocent BN bond substitution in anthracene derivatives. |
| Authors of publication | van de Wouw, H. L.; Lee, J. Y.; Siegler, M. A.; Klausen, R. S. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 12 |
| Pages of publication | 3256 - 3263 |
| a | 7.5086 ± 0.0003 Å |
| b | 5.9024 ± 0.0003 Å |
| c | 29.5225 ± 0.0017 Å |
| α | 90° |
| β | 93.266 ± 0.005° |
| γ | 90° |
| Cell volume | 1306.28 ± 0.11 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0553 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.1386 |
| Weighted residual factors for all reflections included in the refinement | 0.1428 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7154987.cif |
| 181782 | 2016-04-05 | cif/ Updating files of 7154985, 7154986, 7154987, 7154988, 7154989, 7154990 Original log message: Adding full bibliography for 7154985--7154990.cif. |
7154987.cif |
| 176855 | 2016-02-24 | cif/ Adding structures of 7154985, 7154986, 7154987, 7154988, 7154989, 7154990 via cif-deposit CGI script. |
7154987.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.