Information card for entry 7123383

Structure parameters

• Chemical name: triangeliphthalide A
• Formula: C36 H40 O6
• Calculated formula: C36 H40 O6
• Title of publication: Triangeliphthalides A-D: Bioactive Phthalide Trimers with New Skeletons from Angelica sinensis and Their Production Mechanism
• Authors of publication: Zou, Jian; Chen, Guo-Dong; Zhao, Huan; Wang, Xiao-Xia; Zhang, Zaijun; Qu, Yi-Bo; He, Rong-Rong; So, Kwok-Fai; Yao, Xin-Sheng; Gao, Hao
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13.1653 ± 0.0012 Å
• b: 27.523 ± 0.002 Å
• c: 8.5035 ± 0.0007 Å
• α: 90°
• β: 102.221 ± 0.009°
• γ: 90°
• Cell volume: 3011.4 ± 0.4 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No