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Information card for entry 2242873
Preview
| Coordinates | 2242873.cif |
|---|---|
| Structure factors | 2242873.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol |
|---|---|
| Formula | C15 H12 F3 N O3 |
| Calculated formula | C15 H12 F3 N O3 |
| Title of publication | (<i>Z</i>)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol |
| Authors of publication | Demir Kanmazalp, Sibel; Doĝan, Onur Erman; Dege, Necmi; Aĝar, Erbil; Bulbul, Hakan; Golenya, Irina A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 4 |
| Pages of publication | 470 - 474 |
| a | 30.79 ± 0.003 Å |
| b | 9.0703 ± 0.0006 Å |
| c | 4.8579 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1356.69 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.131 |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.0744 |
| Weighted residual factors for all reflections included in the refinement | 0.0877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214375 (current) | 2019-03-27 | cif/ hkl/ Adding structures of 2242873 via cif-deposit CGI script. |
2242873.cif 2242873.hkl |
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Users of the data should acknowledge the original authors of the
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