Information card for entry 1519260

Structure parameters

• Formula: C20 H20 O6
• Calculated formula: C20 H20 O6
• SMILES: O(c1cc2c(cc1O)c1cc(OC)c(O)cc1C[C@@H]1[C@@H](C2)C(=O)OC1)C.O(c1cc2c(cc1O)c1cc(OC)c(O)cc1C[C@H]1[C@H](C2)C(=O)OC1)C
• Title of publication: C20H20O6
• Authors of publication: Ward, Robert S.; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2000
• Pages of publication: 737
• a: 13.4814 ± 0.0003 Å
• b: 7.2705 ± 0.0002 Å
• c: 17.7911 ± 0.0004 Å
• α: 90°
• β: 94.266 ± 0.001°
• γ: 90°
• Cell volume: 1738.99 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No