Information card for entry 2238691

Structure parameters

• Chemical name: (3<i>S</i>,3a<i>S</i>,6<i>R</i>,6a<i>R</i>)-2-Oxohexahydrofuro[3,2-<i>b</i>]furan-3,6-diyl dibenzoate
• Formula: C20 H16 O7
• Calculated formula: C20 H16 O7
• SMILES: O=C1O[C@H]2[C@@H]([C@@H]1OC(=O)c1ccccc1)OC[C@H]2OC(=O)c1ccccc1
• Title of publication: (3<i>S</i>,3a<i>S</i>,6<i>R</i>,6a<i>R</i>)-2-Oxohexahydrofuro[3,2-<i>b</i>]furan-3,6-diyl dibenzoate
• Authors of publication: Piccialli, Vincenzo; Oliviero, Giorgia; Zaccaria, Sabrina; Centore, Roberto; Tuzi, Angela
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1494 - o1495
• a: 7.487 ± 0.0007 Å
• b: 10.205 ± 0.0014 Å
• c: 22.232 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1698.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No