Information card for entry 7158849

Structure parameters

• Formula: C18 H22 Cl2 N O5.5
• Calculated formula: C18 H22 Cl2 N O5.5
• SMILES: [Cl-].ClC[N+]12C[C@]3(O)c4cc5OCOc5cc4[C@H]4[C@@H](O)[C@@H](O)[C@@H]3[C@@]14CCC2.O
• Title of publication: Cephalotaxine-type and homoerythrina-type alkaloids with antiproliferative effects from Cephalotaxus fortunei
• Authors of publication: Zhao, Chun-Xue; Liu, Hui; Zhang, Xin; Yang, Meng-Yue; Wang, Yue-Tong; Xing, Yi-Jia; Hua, Jun-Xin; Zhang, Qin; Li, Da-Hong; Bai, Jiao; Jing, Yong-Kui; Hua, Hui-Ming
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 7.881 ± 0.0006 Å
• b: 27.687 ± 0.002 Å
• c: 7.9772 ± 0.0006 Å
• α: 90°
• β: 100.257 ± 0.003°
• γ: 90°
• Cell volume: 1712.8 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.1085
• Weighted residual factors for significantly intense reflections: 0.2935
• Weighted residual factors for all reflections included in the refinement: 0.3041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.571
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No