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Information card for entry 2102110
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| Coordinates | 2102110.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C9 H9 N O |
|---|---|
| Calculated formula | C9 H9 N O |
| SMILES | NC(=O)/C=C/c1ccccc1 |
| 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 | 16.191 ± 0.002 Å |
| b | 5.079 ± 0.002 Å |
| c | 9.509 ± 0.002 Å |
| α | 90° |
| β | 93.37 ± 0.02° |
| γ | 90° |
| Cell volume | 780.6 ± 0.4 Å3 |
| Cell temperature | 298 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for all reflections included in the refinement | 0.16 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.