Information card for entry 7221027

Structure parameters

• Chemical name: 6-Nitro-2-phenyl-1-(3-phenylpropyl)quinolin-4(1<i>H</i>)-one
• Formula: C24 H20 N2 O3
• Calculated formula: C24 H20 N2 O3
• SMILES: n1(c(cc(=O)c2cc(N(=O)=O)ccc12)c1ccccc1)CCCc1ccccc1
• 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: 10.4213 ± 0.0005 Å
• b: 15.0974 ± 0.0008 Å
• c: 24.6279 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3874.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No