Information card for entry 2201097

Structure parameters

• Chemical name: 2,2'-dimethoxy-4,4'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)diphenyl 1,1'-diacetate
• Formula: C24 H26 O8
• Calculated formula: C24 H26 O8
• SMILES: O(c1cc(ccc1OC(=O)C)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(OC(=O)C)cc1)C
• Title of publication: The diacetate of (+)-pinoresinol
• Authors of publication: Langer, Vratislav; Lundquist, Knut; Stomberg, Rolf
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o402 - o404
• a: 7.9938 ± 0.0001 Å
• b: 14.4485 ± 0.0002 Å
• c: 9.8439 ± 0.0001 Å
• α: 90°
• β: 112.278 ± 0.001°
• γ: 90°
• Cell volume: 1052.09 ± 0.02 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0751
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes