Information card for entry 7157030

Structure parameters

• Formula: C31 H40 Cl3 N O9
• Calculated formula: C31 H40 Cl3 N O9
• Title of publication: Curtachalasins, immunosuppressive agents from the endophytic fungus Xylaria cf. curta.
• Authors of publication: Wang, Wen-Xuan; Cheng, Gui-Guang; Li, Zheng-Hui; Ai, Hong-Lian; He, Juan; Li, Jing; Feng, Tao; Liu, Ji-Kai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 34
• Pages of publication: 7985 - 7994
• a: 8.1478 ± 0.0003 Å
• b: 12.7979 ± 0.0004 Å
• c: 15.6927 ± 0.0005 Å
• α: 90°
• β: 101.559 ± 0.001°
• γ: 90°
• Cell volume: 1603.17 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1882
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No