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Information card for entry 8000163
Preview
| Coordinates | 8000163.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H12 F6 O4 |
|---|---|
| Calculated formula | C20 H12 F6 O4 |
| Title of publication | Photodimerization Mechanism of Bis(3,4,5-trifluorobenzyl) (E,E)-Muconate in a Columnar Assembly in the Crystalline State |
| Authors of publication | Mori, Yutaka; Matsumoto, Akikazu |
| Journal of publication | Chemistry Letters |
| Year of publication | 2007 |
| Journal volume | 36 |
| Journal issue | 4 |
| Pages of publication | 510 |
| a | 3.966 ± 0.002 Å |
| b | 20.041 ± 0.01 Å |
| c | 11.556 ± 0.006 Å |
| α | 90° |
| β | 96.784 ± 0.015° |
| γ | 90° |
| Cell volume | 912.1 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1015 |
| Residual factor for significantly intense reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.1943 |
| Weighted residual factors for all reflections included in the refinement | 0.2075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.