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Information card for entry 2107536
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| Coordinates | 2107536.cif |
|---|---|
| Structure factors | 2107536.hkl |
| Original IUCr paper | HTML |
| Common name | perinone |
|---|---|
| Formula | C26 H12 N4 O2 |
| Calculated formula | C26 H12 N4 O2 |
| Title of publication | Local structure in the disordered solid solution of <i>cis</i>- and <i>trans</i>-perinones |
| Authors of publication | Teteruk, Jaroslav L.; Glinnemann, Jürgen; Heyse, Winfried; Johansson, Kristoffer E.; van de Streek, Jacco; Schmidt, Martin U. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 3 |
| Pages of publication | 416 - 433 |
| a | 11.808 ± 0.003 Å |
| b | 4.8032 ± 0.001 Å |
| c | 16.246 ± 0.004 Å |
| α | 90° |
| β | 99.002 ± 0.009° |
| γ | 90° |
| Cell volume | 910.1 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0649 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.118 |
| Weighted residual factors for all reflections included in the refinement | 0.1278 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183116 (current) | 2016-05-28 | cif/ hkl/ Adding structures of 2107535, 2107536, 2107537 via cif-deposit CGI script. |
2107536.cif 2107536.hkl |
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Users of the data should acknowledge the original authors of the
structural data.