Information card for entry 7159019

Structure parameters

• Formula: C18 H21 N O5
• Calculated formula: C18 H21 N O5
• SMILES: C1[C@H]([C@@]2([C@@H]3[C@@]41CCCN4C[C@@H](c1c3cc3c(c1)OCO3)O2)O)OC
• 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: 6.6976 ± 0.0004 Å
• b: 10.7016 ± 0.0006 Å
• c: 11.0783 ± 0.0006 Å
• α: 90°
• β: 94.076 ± 0.001°
• γ: 90°
• Cell volume: 792.03 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No