Information card for entry 7245076

Structure parameters

• Formula: C25 H28 Cl N3 O
• Calculated formula: C25 H28 Cl N3 O
• SMILES: [Cl-].n1(c2ccccc2)cc2[n+](c1)ccc1c2n(c2c1cccc2)CC(C)C.OCC
• Title of publication: New β-carboline containing imidazolium derivatives as potential VEGFR2 inhibitors: synthesis, X-ray structure, anti-proliferative evaluations, and molecular modeling
• Authors of publication: Ma, Ling; Chen, Xiaofei; Zhu, Siyu; Chen, Wei; Ma, Qin; Fan, Wenxi; Zhang, Jie; Guo, Liang
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2022
• a: 18.347 ± 0.004 Å
• b: 16.232 ± 0.003 Å
• c: 7.4296 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2212.6 ± 0.8 ų
• Cell temperature: 220 K
• Ambient diffraction temperature: 220 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No