Information card for entry 7239830

Structure parameters

• Formula: C36 H47 N3 O9
• Calculated formula: C36 H47 N3 O9
• Title of publication: Synthesis of cucurbitacin IIa derivatives with apoptosis-inducing capabilities in human cancer cells
• Authors of publication: Yu, Kun; Yang, Xinmei; Li, Ying; Cui, Xue; Liu, Bo; Yao, Qingqiang
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 3872 - 3881
• a: 10.8304 ± 0.0003 Å
• b: 15.9589 ± 0.0004 Å
• c: 21.2922 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3680.17 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0441
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No