Information card for entry 2202259

Structure parameters

• Formula: C22 H20 O8
• Calculated formula: C22 H20 O8
• SMILES: C1Oc2c(cc3C(=O)[C@H]4COC(=O)[C@@H]4[C@@H](c3c2)c2cc(c(c(c2)OC)OC)OC)O1
• Title of publication: (5a<i>R</i>,8a<i>R</i>,9<i>R</i>)-9-(3,4,5-Trimethoxyphenyl)-5a,6,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>][1,3]dioxole-5,8-dione
• Authors of publication: Jian-Feng Shi; Yan-Guang Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o756 - o758
• a: 6.4927 ± 0.0009 Å
• b: 12.194 ± 0.0011 Å
• c: 24.9681 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1976.8 ± 0.4 ų
• Cell temperature: 293 ± 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 significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes