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Information card for entry 2102111
Preview
| Coordinates | 2102111.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C18 H16 Cl2 N2 O2 |
|---|---|
| Calculated formula | C18 H16 Cl2 N2 O2 |
| SMILES | NC(=O)[C@@H]1[C@H](c2ccc(cc2)Cl)[C@H]([C@H]1c1ccc(cc1)Cl)C(=O)N |
| Title of publication | Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides |
| Authors of publication | Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 4 |
| Pages of publication | 682 - 689 |
| a | 8.733 ± 0.003 Å |
| b | 18.578 ± 0.009 Å |
| c | 5.21 ± 0.003 Å |
| α | 91.86 ± 0.04° |
| β | 93.04 ± 0.04° |
| γ | 93.21 ± 0.03° |
| Cell volume | 842.2 ± 0.7 Å3 |
| Cell temperature | 298 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.6 |
| Diffraction radiation wavelength | 0.71073 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.