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Information card for entry 2240461
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| Coordinates | 2240461.cif |
|---|---|
| Structure factors | 2240461.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Bromo-2-(phenylselenyl)benzene |
|---|---|
| Formula | C12 H9 Br Se |
| Calculated formula | C12 H9 Br Se |
| SMILES | Brc1c([Se]c2ccccc2)cccc1 |
| Title of publication | Crystal structure of 1-bromo-2-(phenylselenyl)benzene |
| Authors of publication | Charette, Bronte J.; Ritch, Jamie S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | 327 - 329 |
| a | 8.1171 ± 0.0004 Å |
| b | 7.6028 ± 0.0004 Å |
| c | 18.1345 ± 0.001 Å |
| α | 90° |
| β | 99.2668 ± 0.0006° |
| γ | 90° |
| Cell volume | 1104.52 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 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 | 0.019 |
| Residual factor for significantly intense reflections | 0.0166 |
| Weighted residual factors for significantly intense reflections | 0.041 |
| Weighted residual factors for all reflections included in the refinement | 0.0417 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240461.cif 2240461.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240461.cif 2240461.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240461.cif 2240461.hkl |
| 132565 | 2015-02-28 | cif/ hkl/ Adding structures of 2240461 via cif-deposit CGI script. |
2240461.cif 2240461.hkl |
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Users of the data should acknowledge the original authors of the
structural data.