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Information card for entry 2240637
Preview
| Coordinates | 2240637.cif |
|---|---|
| Structure factors | 2240637.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(3,3-dimethyl-2-oxobutyl)diphenylphosphonium bromide chloroform monosolvate |
|---|---|
| Formula | C25 H33 Br Cl3 O2 P |
| Calculated formula | C25 H33 Br Cl3 O2 P |
| Title of publication | Crystal structure of bis(3,3-dimethyl-2-oxobutyl)diphenylphosphonium bromide chloroform monosolvate |
| Authors of publication | Kulesza, Alyssa A.; Staples, Richard J.; Biros, Shannon M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o339 - o340 |
| a | 23.638 ± 0.0018 Å |
| b | 13.6273 ± 0.001 Å |
| c | 18.1817 ± 0.0013 Å |
| α | 90° |
| β | 108.702 ± 0.001° |
| γ | 90° |
| Cell volume | 5547.5 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0849 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.1879 |
| Weighted residual factors for all reflections included in the refinement | 0.2062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240637.cif 2240637.hkl |
| 136429 | 2015-05-13 | cif/ hkl/ Adding structures of 2240637 via cif-deposit CGI script. |
2240637.cif 2240637.hkl |
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Users of the data should acknowledge the original authors of the
structural data.