Information card for entry 2238584

Structure parameters

• Chemical name: (3<i>R</i>,3a<i>R</i>,6<i>R</i>,6a<i>R</i>)-Hexahydrofuro[3,2-<i>b</i>]furan-3,6-diyl dibenzoate
• Formula: C20 H18 O6
• Calculated formula: C20 H18 O6
• Title of publication: (3<i>R</i>,3a<i>R</i>,6<i>R</i>,6a<i>R</i>)-Hexahydrofuro[3,2-<i>b</i>]furan-3,6-diyl dibenzoate
• Authors of publication: Piccialli, Vincenzo; Zaccaria, Sabrina; Borbone, Nicola; Centore, Roberto; Tuzi, Angela
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1396 - o1397
• a: 10.0914 ± 0.0015 Å
• b: 8.2388 ± 0.0011 Å
• c: 10.7592 ± 0.001 Å
• α: 90°
• β: 108.913 ± 0.01°
• γ: 90°
• Cell volume: 846.24 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0472
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes