Information card for entry 1529457

Structure parameters

• Formula: C22 H26 O6
• Calculated formula: C22 H26 O6
• SMILES: O(C)c1ccc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(OC)cc2)cc1OC
• Title of publication: (±)-Acortatarinowins A-F, Norlignan, Neolignan, and Lignan Enantiomers from Acorus tatarinowii.
• Authors of publication: Lu, Yuanyuan; Xue, Yongbo; Liu, Junjun; Yao, Guangmin; Li, Dongyan; Sun, Bin; Zhang, Jinwen; Liu, Yanfei; Qi, Changxing; Xiang, Ming; Luo, Zengwei; Du, Guang; Zhang, Yonghui
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 9
• Pages of publication: 2205 - 2214
• a: 11.4215 ± 0.0003 Å
• b: 32.7681 ± 0.0009 Å
• c: 11.5118 ± 0.0003 Å
• α: 90°
• β: 116.753 ± 0.001°
• γ: 90°
• Cell volume: 3847.22 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No