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Information card for entry 2214248
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| Coordinates | 2214248.cif |
|---|---|
| Structure factors | 2214248.hkl |
| Original IUCr paper | HTML |
| Chemical name | (4-bromobenzoyl)(triphenylphosphonio)methanide |
|---|---|
| Formula | C26 H20 Br O P |
| Calculated formula | C26 H20 Br O P |
| SMILES | c1(ccc(cc1)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)Br |
| Title of publication | 4-Bromobenzoylmethylene–triphenylphosphorane ylide |
| Authors of publication | Sabounchei, Seyyed Javad; Dadras, Alireza; Jafarzadeh, Mojtaba; Khavasi, Hamid Reza |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 7 |
| Pages of publication | o3160 - o3160 |
| a | 16.6819 ± 0.0017 Å |
| b | 10.959 ± 0.0008 Å |
| c | 23.718 ± 0.002 Å |
| α | 90° |
| β | 98.983 ± 0.008° |
| γ | 90° |
| Cell volume | 4282.9 ± 0.7 Å3 |
| Cell temperature | 128 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for all reflections included in the refinement | 0.0593 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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