Information card for entry 7159015

Structure parameters

• Formula: C19 H21 N O4
• Calculated formula: C19 H21 N O4
• SMILES: C1=C(C(=O)[C@H]2[C@]31CCCN3CCc1c2cc2c(c1)OCO2)OCC
• Title of publication: Cytotoxic alkaloids from the twigs and leaves of <i>Cephalotaxus sinensis</i>.
• Authors of publication: Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 21
• Journal issue: 1
• Pages of publication: 169 - 178
• a: 8.0253 ± 0.0004 Å
• b: 10.2408 ± 0.0005 Å
• c: 20.0504 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1647.85 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0327
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No