Information card for entry 1519288

Structure parameters

• Formula: C26 H30 O9
• Calculated formula: C26 H30 O9
• SMILES: O(C)c1c(OC)cc(cc1)[C@@H]1[C@H]2COC[C@]2(OC(=O)C)[C@@H](OC(=O)C)c2cc(OC)c(OC)cc12
• Title of publication: C26H30O9
• Authors of publication: Ward, Robert S.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2000
• Pages of publication: 105
• a: 8.342 ± 0.0017 Å
• b: 12.846 ± 0.003 Å
• c: 22.736 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2436.4 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No