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Information card for entry 4109989
Preview
| Coordinates | 4109989.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H16 Cl N O2 |
|---|---|
| Calculated formula | C13 H16 Cl N O2 |
| SMILES | [Cl-].O.O.[nH+]1ccc(cc1)/C=C/c1ccccc1 |
| Title of publication | Role of Cation-π Interactions in the Photodimerization of trans-4-Styrylpyridines |
| Authors of publication | Shinji Yamada; Naoko Uematsu; Kaori Yamashita |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 12100 - 12101 |
| a | 9.675 ± 0.002 Å |
| b | 17.749 ± 0.003 Å |
| c | 7.8416 ± 0.0014 Å |
| α | 90° |
| β | 95.659 ± 0.016° |
| γ | 90° |
| Cell volume | 1340 ± 0.4 Å3 |
| Cell temperature | 298.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for all reflections included in the refinement | 0.135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4109989.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109989.cif |
| 58768 | 2012-05-30 | cif/ Adding structures of 4109989 via cif-deposit CGI script. |
4109989.cif |
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Users of the data should acknowledge the original authors of the
structural data.