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Information card for entry 2202197
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| Coordinates | 2202197.cif |
|---|---|
| Structure factors | 2202197.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-(4-Methacryloyloxyphenyl)-3-(3-bromophenyl)prop-2-en-1-one |
|---|---|
| Formula | C19 H15 Br O3 |
| Calculated formula | C19 H15 Br O3 |
| SMILES | Brc1cc(ccc1)/C=C/C(=O)c1ccc(OC(=O)C(=C)C)cc1 |
| Title of publication | 1-(4-Methacryloyloxyphenyl)-3-(3-bromophenyl)prop-2-en-1-one |
| Authors of publication | T. Ravishankar; K. Chinnakali; S. Nanjundan; S. Radhakrishnan; Anwar Usman; Hoong-Kun Fun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 2 |
| Pages of publication | o138 - o140 |
| a | 7.8096 ± 0.0002 Å |
| b | 5.6168 ± 0.0002 Å |
| c | 37.212 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1632.3 ± 0.08 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.136 |
| Residual factor for significantly intense reflections | 0.069 |
| Weighted residual factors for significantly intense reflections | 0.142 |
| Weighted residual factors for all reflections included in the refinement | 0.169 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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