Information card for entry 1552919

Structure parameters

• Formula: C31 H40 Cl6 O10
• Calculated formula: C31 H40 Cl6 O10
• Title of publication: Antifungal Macrocyclic Trichothecenes from the Insect-Associated Fungus <i>Myrothecium roridum</i>.
• Authors of publication: Li, Tian-Xiao; Xiong, Ya-Mei; Chen, Xin; Yang, Ya-Nan; Wang, Ying; Jia, Xue-Wei; Yang, Xue-Peng; Tan, Lan-Lan; Xu, Chun-Ping
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2019
• Journal volume: 67
• Journal issue: 47
• Pages of publication: 13033 - 13039
• a: 8.18909 ± 0.0001 Å
• b: 29.7457 ± 0.0005 Å
• c: 15.1177 ± 0.0003 Å
• α: 90°
• β: 90.1069 ± 0.0015°
• γ: 90°
• Cell volume: 3682.52 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No