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Information card for entry 2012475
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| Coordinates | 2012475.cif |
|---|---|
| Structure factors | 2012475.hkl |
| Original IUCr paper | HTML |
| Formula | C26 H34 O8 |
|---|---|
| Calculated formula | C26 H34 O8 |
| SMILES | O1CCOCC1.O1CCOCC1.CC12CCC(c3c1cc(O)c(c3)O)(c1c2cc(O)c(c1)O)C |
| Title of publication | 2,3,6,7-Tetrahydroxy-9,10-dimethyl-9,10-dihydro-9,10-ethanoanthracene bis(1,4-dioxane) solvate |
| Authors of publication | Masci, Bernardo; Nierlich, Martine; Thuéry, Pierre |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 2 |
| Pages of publication | o86 - o87 |
| a | 25.6848 ± 0.0018 Å |
| b | 9.7131 ± 0.001 Å |
| c | 10.5531 ± 0.0013 Å |
| α | 90° |
| β | 111.63 ± 0.006° |
| γ | 90° |
| Cell volume | 2447.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0686 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.102 |
| Weighted residual factors for all reflections included in the refinement | 0.1125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| 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.