Information card for entry 2206425

Structure parameters

• Chemical name: (1S,3aR,4S,6aR)-1-(4-Hydroxy-3-methoxyphenyl)-4-(4-hydroxy-3- methylphenyl)perhydrofuro[3,4-c]furan-3a,6a-diol hexahydrate
• Formula: C20 H34 O14
• Calculated formula: C20 H26 O14
• Title of publication: (1<i>S</i>,3a<i>R</i>,4<i>S</i>,6a<i>R</i>)-1-(4-Hydroxy-3-methoxyphenyl)-4-(4-hydroxy-3-methylphenyl)perhydrofuro[3,4-<i>c</i>]furan-3a,6a-diol hexahydrate
• Authors of publication: Ying-Qian Xu; Bing Zhao; Li-Xin Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2559 - o2560
• a: 19.06 ± 0.003 Å
• b: 6.6887 ± 0.0011 Å
• c: 9.3752 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1195.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes