Information card for entry 1519121

Structure parameters

• Formula: C20 H20 O5
• Calculated formula: C20 H20 O5
• SMILES: C1(=O)[C@H]2CC3(C=CC(=O)C=C3)c3c(C[C@@H]2CO1)cc(OC)c(OC)c3.C1(=O)[C@@H]2CC3(C=CC(=O)C=C3)c3c(C[C@H]2CO1)cc(OC)c(OC)c3
• Title of publication: C20H20O5
• Authors of publication: Ward, Robert S.; Harman, Mary; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1992
• Pages of publication: 1021
• a: 9.7 Å
• b: 10.47 Å
• c: 16.58 Å
• α: 90°
• β: 92.55°
• γ: 90°
• Cell volume: 1682.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 0.484
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No