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Information card for entry 2311241
Preview
| Coordinates | 2311241.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Bis(2-bromobenzyl) ether |
|---|---|
| Formula | C14 H12 Br2 O |
| Calculated formula | C14 H12 Br2 O |
| SMILES | Brc1c(COCc2c(Br)cccc2)cccc1 |
| Title of publication | Bis(2-bromo-benz-yl) ether. |
| Authors of publication | Anuradha, Venkatramu; Nagendra, P.; Madan Kumar, S.; Siddaraju, B. P.; Lokanath, N. K. |
| Journal of publication | Acta crystallographica. Section E, Structure reports online |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | Pt 7 |
| Pages of publication | o765 |
| a | 11.6022 ± 0.0006 Å |
| b | 10.159 ± 0.0005 Å |
| c | 12.2368 ± 0.0006 Å |
| α | 90° |
| β | 112.853 ± 0.002° |
| γ | 90° |
| Cell volume | 1329.1 ± 0.12 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| 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 | 0.077 |
| Residual factor for significantly intense reflections | 0.0725 |
| Weighted residual factors for significantly intense reflections | 0.1863 |
| Weighted residual factors for all reflections included in the refinement | 0.1924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245714 (current) | 2019-12-25 | cif/ Adding structures of 2311241 via cif-deposit CGI script. |
2311241.cif |
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