Information card for entry 1563593

Structure parameters

• Formula: C38 H46 O5
• Calculated formula: C38 H46 O5
• Title of publication: Discovery of Four Modified Classes of Triterpenoids Delineated a Metabolic Cascade: Compound Characterization and Biomimetic Synthesis
• Authors of publication: Zhou, Bin; Gao, Xinhua; Zhang, Minmin; Zheng, Chengyu; Liu, Hongchun; Yue, Jian-Min
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 18.0938 ± 0.001 Å
• b: 7.0743 ± 0.0004 Å
• c: 24.2239 ± 0.0014 Å
• α: 90°
• β: 92.505 ± 0.003°
• γ: 90°
• Cell volume: 3097.7 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No