Information card for entry 1503668

Structure parameters

• Formula: C21 H24 O6
• Calculated formula: C21 H24 O6
• SMILES: O1[C@H]2C[C@H]3C4=C(CC[C@@]3([C@@]35O[C@H]5[C@@H]5O[C@@]5([C@]5(OC5)[C@]123)C(C)C)C)C(=O)OC4
• Title of publication: Design and synthesis of novel C14-hydroxyl substituted triptolide derivatives as potential selective antitumor agents.
• Authors of publication: Li, Zheng; Zhou, Zhao-Li; Miao, Ze-Hong; Lin, Li-Ping; Feng, Hui-Jin; Tong, Lin-Jiang; Ding, Jian; Li, Yuan-Chao
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2009
• Journal volume: 52
• Journal issue: 16
• Pages of publication: 5115 - 5123
• a: 9.7642 ± 0.0014 Å
• b: 8.0842 ± 0.0011 Å
• c: 11.694 ± 0.0017 Å
• α: 90°
• β: 98.007 ± 0.002°
• γ: 90°
• Cell volume: 914.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No