Information card for entry 7224037

Structure parameters

• Formula: C26 H26 N4 O4
• Calculated formula: C26 H26 N4 O4
• SMILES: [n+]12c(c3[nH]c4cc(OC)ccc4c3CC1)cccc2c1nc2ccccc2c([O-])n1.OC.OC
• Title of publication: Peganumine B-I and two enantiomers, new alkaloids from the seeds of Peganum harmala Linn and its potential cytotoxicity and cholinesterases inhibitory activities
• Authors of publication: Yang, Yadi; Cheng, Xuemei; Liu, Wei; Han, Zhu-zhen; Chou, Guixin; Wang, Ying; Sun, Duxin; Wang, Zhengtao; Wang, Changhong
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 14.9175 ± 0.0002 Å
• b: 7.0467 ± 0.0001 Å
• c: 22.1982 ± 0.0003 Å
• α: 90°
• β: 105.239 ± 0.001°
• γ: 90°
• Cell volume: 2251.41 ± 0.05 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No