Information card for entry 7231185

Structure parameters

• Chemical name: X-31
• Formula: C32 H40 O5
• Calculated formula: C32 H40 O5
• Title of publication: Xyloplains A‒F, six new guaiane-type sesquiterpenoid dimers from Xylopia vielana
• Authors of publication: Xie, Yang-Guo; Zhang, Weiyue; Zhu, Sheng-lan; Cheng, Tao-fang; Wu, Guo-jing; Muhammad, Ishaq; Yan, Shi-kai; Zhang, Yan; Jin, Hui-zi; Zhang, Wei-dong
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 45
• Pages of publication: 25719
• a: 14.1118 ± 0.0005 Å
• b: 14.5427 ± 0.0005 Å
• c: 15.5885 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3199.13 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0959
• Weighted residual factors for significantly intense reflections: 0.2701
• Weighted residual factors for all reflections included in the refinement: 0.2729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No