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Information card for entry 7055679
Preview
| Coordinates | 7055679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1,3-dibromo-2-phenyl-1H-indene |
|---|---|
| Formula | C15 H10 Br2 |
| Calculated formula | C15 H10 Br2 |
| SMILES | BrC1C(=C(Br)c2c1cccc2)c1ccccc1 |
| Title of publication | Synthesis of 1,3-dibromo-2-aryl-1H-indenes via NBS mediated unusual bromination of 2-alkynylbenzaldoximes |
| Authors of publication | Singha, Raju; Ghosh, Munmun; Das, Saikat; Das, Dhiraj; Ray, Jayanta K. |
| Journal of publication | New J. Chem. |
| Year of publication | 2016 |
| Journal volume | 40 |
| Journal issue | 9 |
| Pages of publication | 7269 |
| a | 16.202 ± 0.002 Å |
| b | 7.6187 ± 0.0011 Å |
| c | 20.676 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2552.2 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0543 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0623 |
| Weighted residual factors for all reflections included in the refinement | 0.0733 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7055679.cif |
| 186457 | 2016-09-10 | cif/ Updating files of 7055679 Original log message: Adding full bibliography for 7055679.cif. |
7055679.cif |
| 184254 | 2016-07-06 | cif/ Adding structures of 7055679 via cif-deposit CGI script. |
7055679.cif |
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Users of the data should acknowledge the original authors of the
structural data.