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Information card for entry 7700414
Preview
| Coordinates | 7700414.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H23 B Br2 F2 N2 |
|---|---|
| Calculated formula | C27 H23 B Br2 F2 N2 |
| Title of publication | gem-Dibromovinyl boron dipyrrins: synthesis, spectral properties and crystal structures. |
| Authors of publication | Ali, Hasrat; Guérin, Brigitte; van Lier, Johan E. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 30 |
| Pages of publication | 11492 - 11507 |
| a | 36.157 ± 0.0013 Å |
| b | 39.5961 ± 0.0014 Å |
| c | 6.7201 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9621 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0534 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1236 |
| Weighted residual factors for all reflections included in the refinement | 0.1276 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7700414.cif |
| 224346 | 2019-11-08 | cif/ Updating files of 7700406, 7700407, 7700408, 7700409, 7700410, 7700411, 7700412, 7700413, 7700414, 7700415 Original log message: Adding full bibliography for 7700406--7700415.cif. |
7700414.cif |
| 216687 | 2019-07-03 | cif/ Adding structures of 7700406, 7700407, 7700408, 7700409, 7700410, 7700411, 7700412, 7700413, 7700414, 7700415 via cif-deposit CGI script. |
7700414.cif |
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Users of the data should acknowledge the original authors of the
structural data.