Information card for entry 7120055

Structure parameters

• Formula: C24 H32 O4 S2
• Calculated formula: C24 H32 O4 S2
• Title of publication: Synthesis of Thioether Andrographolide Derivatives and Their Inhibitory Effect Against Cancer Cells
• Authors of publication: Cheng, Chunru; Liu, Yi; Liang, Ren-Ming; Ma, Qing-Ping; Xu, Kai; Liang, Xin-Yong; Huang, Wei; Sutton, Robert; Ding, Jie; ONeill, P M
• Journal of publication: Med. Chem. Commun.
• Year of publication: 2017
• a: 9.859 ± 0.003 Å
• b: 13.57 ± 0.005 Å
• c: 17.593 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2353.7 ± 1.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• 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: 0.1011
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No