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Information card for entry 2103997
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| Coordinates | 2103997.cif |
|---|---|
| Structure factors | 2103997.hkl |
| Original IUCr paper | HTML |
| Formula | C30 H24 |
|---|---|
| Calculated formula | C30 H24 |
| SMILES | CC12c3ccccc3C(c3c1cccc3)C1(c3c(C2c2ccccc12)cccc3)C |
| Title of publication | Monitoring structural transformations in crystals. 6. The [4+4] photodimerization of 9-methylanthracene |
| Authors of publication | Turowska-Tyrk, Ilona; Trzop, Elżbieta |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 6 |
| Pages of publication | 779 - 786 |
| a | 9.765 ± 0.0013 Å |
| b | 13.6035 ± 0.0019 Å |
| c | 8.1177 ± 0.001 Å |
| α | 90° |
| β | 113.308 ± 0.015° |
| γ | 90° |
| Cell volume | 990.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 2 |
| 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 | 0.1196 |
| Residual factor for significantly intense reflections | 0.0784 |
| Weighted residual factors for significantly intense reflections | 0.206 |
| Weighted residual factors for all reflections included in the refinement | 0.2496 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
structural data.