Information card for entry 7226754

Structure parameters

• Formula: C19 H26 N4 O2
• Calculated formula: C19 H26 N4 O2
• SMILES: OC1(CCCCC1)c1cn(nn1)[C@H]([C@@H](C)NC(=O)C)c1ccccc1
• Title of publication: Synthetic investigation on chirally pure Mannich derivatives of pseudophenylpropanolamine and their anticancer properties against HepG-2 cells with inhibition of JAK2/STAT3
• Authors of publication: Balachandran, Chandrasekar; Chennakesava Rao, K.; Arun, Y.; Emi, N.; Yamamoto, Naoki; Inaguma, Yoko; Okamoto, Akinao; Easwaramoorthi, K.; Paramasivan Thirumalai, Perumal
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 13.3748 ± 0.0007 Å
• b: 15.9256 ± 0.0008 Å
• c: 26.3938 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5621.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1326
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No