Information card for entry 2202762

Structure parameters

• Chemical name: (+)-pinoresinol‒dioxane (1/1)
• Formula: C24 H30 O8
• Calculated formula: C24 H30 O8
• SMILES: c1(cc(c(cc1)O)OC)[C@@H]1[C@H]2CO[C@H](c3cc(c(cc3)O)OC)[C@H]2CO1.C1COCCO1
• Title of publication: (+)-Pinoresinol‒dioxane (1/1)
• Authors of publication: Stomberg, Rolf; Ibrahim, Wilson; Langer, Vratislav; Lundquist, Knut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o1972 - o1974
• a: 9.8318 ± 0.0016 Å
• b: 6.066 ± 0.003 Å
• c: 18.493 ± 0.002 Å
• α: 90°
• β: 92.891 ± 0.013°
• γ: 90°
• Cell volume: 1101.5 ± 0.6 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 1 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: 0.0601
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes