Information card for entry 7227549

Structure parameters

• Chemical name: meso-asaronan A
• Formula: C24 H34 O9
• Calculated formula: C24 H34 O9
• SMILES: O([C@H]([C@@H](O)C)c1c(OC)cc(OC)c(OC)c1)[C@@H]([C@H](O)C)c1cc(OC)c(OC)cc1OC
• Title of publication: Anti-neuroinflammatory asarone derivatives from the rhizomes of Acorus tatarinowii
• Authors of publication: Qin, Da-Peng; Feng, Xiao-Lin; Zhang, Wei-Yang; Gao, Hao; Cheng, Xiao-Rui; Zhou, Wen-Xia; Yu, Yang; Yao, Xin-Sheng
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 14
• Pages of publication: 8512
• a: 18.377 ± 0.004 Å
• b: 7.9014 ± 0.0016 Å
• c: 17.239 ± 0.003 Å
• α: 90°
• β: 99.43 ± 0.03°
• γ: 90°
• Cell volume: 2469.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No