Information card for entry 2218675

Structure parameters

• Chemical name: rac-4-Methoxy-5-[4-(4-methoxy-1,3-benzodioxol-5-yl)perhydro- 1<i>H</i>,3<i>H</i>-furo[3,4-<i>c</i>]furan-1-yl]-1,3-benzodioxole
• Formula: C22 H22 O8
• Calculated formula: C22 H22 O8
• SMILES: c1(c2c(ccc1[C@@H]1[C@@H]3[C@H](CO1)[C@@H](c1ccc4c(c1OC)OCO4)OC3)OCO2)OC
• Title of publication: 4-Methoxy-5-[4-(4-methoxy-1,3-benzodioxol-5-yl)perhydro-1<i>H</i>,3<i>H</i>-furo[3,4-<i>c</i>]furan-1-yl]-1,3-benzodioxole
• Authors of publication: Ezhilmuthu, Rukmani Perumal; Vembu, Nagarajan; Sulochana, Nagarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1306 - o1307
• a: 4.754 ± 0.005 Å
• b: 13.982 ± 0.004 Å
• c: 14.672 ± 0.005 Å
• α: 90°
• β: 97.97 ± 0.06°
• γ: 90°
• Cell volume: 965.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes