Information card for entry 2205731

Structure parameters

• Formula: C23 H23 F O8
• Calculated formula: C23 H23 F O8
• SMILES: F[C@H]1[C@@H]2[C@@H]([C@@H](c3c1cc1OCOc1c3)c1cc(OC)c(O)c(O)c1)C(=O)OC2.O=C(C)C
• Title of publication: (5<i>R</i>,5a<i>R</i>,8a<i>R</i>,9<i>S</i>)-5-(3,4-dihydroxy-5-methoxyphenyl)-9-fluoro-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>]-1,3-dioxol-6(5a<i>H</i>)-one acetone solvate
• Authors of publication: Zhou, Feng-Yan; Jian, Shan-Zhong; He, Xue-Ying; Wang, Yan-Guang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1374 - o1376
• a: 19.1786 ± 0.0009 Å
• b: 7.7058 ± 0.0003 Å
• c: 14.0757 ± 0.0007 Å
• α: 90°
• β: 92.373 ± 0.002°
• γ: 90°
• Cell volume: 2078.41 ± 0.16 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes