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Information card for entry 2103947
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| Coordinates | 2103947.cif |
|---|---|
| Structure factors | 2103947.hkl |
| Original IUCr paper | HTML |
| Formula | C19 H17 Cl O |
|---|---|
| Calculated formula | C19 H16.388 Cl O |
| Title of publication | Monitoring structural transformations in crystals. 5. A topotactic [2 + 2]-photodimerization reaction |
| Authors of publication | Turowska-Tyrk, Ilona |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 5 |
| Pages of publication | 670 - 675 |
| a | 16.686 ± 0.004 Å |
| b | 10.688 ± 0.004 Å |
| c | 8.664 ± 0.003 Å |
| α | 90° |
| β | 103.74 ± 0.03° |
| γ | 90° |
| Cell volume | 1500.9 ± 0.8 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 | 0.1217 |
| Residual factor for significantly intense reflections | 0.0743 |
| Weighted residual factors for significantly intense reflections | 0.1685 |
| Weighted residual factors for all reflections included in the refinement | 0.1989 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.191 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
Version history
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All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.