Information card for entry 7227552

Structure parameters

• Chemical name: asarolignan D
• Formula: C25 H36 O7
• Calculated formula: C25 H36 O7
• 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: 11.7316 ± 0.0005 Å
• b: 25.2812 ± 0.0008 Å
• c: 8.4293 ± 0.0002 Å
• α: 90°
• β: 97.814 ± 0.003°
• γ: 90°
• Cell volume: 2476.82 ± 0.15 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: 0.0669
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No