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Information card for entry 2010605
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| Coordinates | 2010605.cif |
|---|---|
| Structure factors | 2010605.hkl |
| Original IUCr paper | HTML |
| Chemical name | meso-bis([2.2]paracyclophan-4-yl)methane |
|---|---|
| Formula | C33 H32 |
| Calculated formula | C33 H32 |
| SMILES | C1Cc2c(cc(cc2)CCc2ccc1cc2)Cc1c2CCc3ccc(CCc(c1)cc2)cc3 |
| Title of publication | Chiral and <i>meso</i>-bis([2.2]paracyclophan-4-yl)methane and <i>meso</i>-bis([2.2]paracyclophan-4-yl) sulfide |
| Authors of publication | Jones, Peter G.; Ernst, Ludger; Dix, Ina; Wittkowski, Lars |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 2 |
| Pages of publication | 239 - 241 |
| a | 25.969 ± 0.003 Å |
| b | 7.72 ± 0.001 Å |
| c | 23.329 ± 0.003 Å |
| α | 90° |
| β | 94.044 ± 0.006° |
| γ | 90° |
| Cell volume | 4665.4 ± 1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0541 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for all reflections | 0.1164 |
| Weighted residual factors for significantly intense reflections | 0.1097 |
| Goodness-of-fit parameter for all reflections | 1.037 |
| Goodness-of-fit parameter for significantly intense reflections | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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