Information card for entry 2209320

Structure parameters

• Common name: magnolin
• Chemical name: 1-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)perhydrofuro[3,4-c]furan
• Formula: C23 H28 O7
• Calculated formula: C23 H28 O7
• SMILES: O1[C@@H]([C@H]2CO[C@@H]([C@H]2C1)c1cc(OC)c(OC)cc1)c1cc(OC)c(OC)c(OC)c1
• Title of publication: 1-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)perhydrofuro[3,4-<i>c</i>]furan
• Authors of publication: Li Zhang; Yang Lu; Qi-Tai Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2460 - o2461
• a: 8.289 ± 0.0017 Å
• b: 8.388 ± 0.0017 Å
• c: 30.875 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2146.7 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes