Information card for entry 7227550

Structure parameters

• Chemical name: asarolignan B
• Formula: C49 H78 O23.9
• Calculated formula: C49 H78 O23.9
• 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: 14.3231 ± 0.0005 Å
• b: 23.3774 ± 0.0006 Å
• c: 16.4367 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5503.6 ± 0.3 ų
• Cell temperature: 107 K
• Ambient diffraction temperature: 107 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No