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Information card for entry 2008816
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| Coordinates | 2008816.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 2,11-dithia[3.3.2]paracyclophane |
|---|---|
| Formula | C24 H24 S2 |
| Calculated formula | C24 H24 S2 |
| SMILES | S1Cc2ccc(cc2)CSCc2ccc(cc2)CCc2ccc(cc2)C1 |
| Title of publication | 2,11-Dithia[3.3.1]paracyclophane, (I), and 2,11-dithia[3.3.2]paracyclophane, (II) |
| Authors of publication | Itoh, Kuniaki; Nishikawa, Kazuyoshi; Hashimoto, Masao; Yamada, Hiroaki |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 8 |
| Pages of publication | 1357 - 1360 |
| a | 14.345 ± 0.003 Å |
| b | 7.585 ± 0.003 Å |
| c | 19.248 ± 0.002 Å |
| α | 90° |
| β | 105.57 ± 0.01° |
| γ | 90° |
| Cell volume | 2017.5 ± 0.9 Å3 |
| Cell temperature | 298.2 K |
| Ambient diffraction temperature | 298.2 K |
| Number of distinct elements | 3 |
| 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 | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.0444 |
| Goodness-of-fit parameter for significantly intense reflections | 1.484 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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