Information card for entry 2012475

Structure parameters

• 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 ų
• 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