Information card for entry 8106313

Structure parameters

• Formula: C22 H20 O8
• Calculated formula: C22 H20 O8
• SMILES: c1(ccc2c(c1)OCO2)[C@@H]1[C@]2(CO[C@H](c3ccc4c(c3)OCO4)[C@H]2CO1)OC(=O)C
• Title of publication: Crystal structure of 1,4-bis(benzo[d][1,3]dioxol-5-ylmethyl)dihydro-1H,3H-furo[3,4-c]furan-3a(4H)-yl acetate, C22H20O8
• Authors of publication: Deng, Rui; Zhao, Chen-Liang; Ye, Jiang-Hai; Liu, Ya-Hua; Zou, Juan; Pan, Lu-Tai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 829 - 830
• a: 7.5482 ± 0.001 Å
• b: 7.0055 ± 0.0009 Å
• c: 18.245 ± 0.003 Å
• α: 90°
• β: 101.709 ± 0.004°
• γ: 90°
• Cell volume: 944.7 ± 0.2 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: 0.0549
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0631
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No