Information card for entry 7221031

Structure parameters

• Chemical name: (<i>R</i>)-6-Nitro-1-(1-phenylethyl)-2-(4-tolyl)quinolin-4(1<i>H</i>)-one
• Formula: C24 H20 N2 O3
• Calculated formula: C24 H20 N2 O3
• SMILES: n1(c2c(cc(N(=O)=O)cc2)c(=O)cc1c1ccc(cc1)C)[C@@H](c1ccccc1)C
• Title of publication: Diversity oriented synthesis of 6-Nitro- and 6-Aminoquinolones and their activity as alkaline phosphatase inhibitors
• Authors of publication: Milyutina, Maria; Ivanov, Anton; Ejaz, Syeda; Iqbal, Jamshed; Villinger, Alexander; Iaroshenko, Victor O.; Langer, Peter
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.9322 ± 0.001 Å
• b: 13.6154 ± 0.001 Å
• c: 14.4052 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1948 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0851
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No