Information card for entry 7221030

Structure parameters

• Chemical name: 3,6-bis(4-ethylphenyl)-1-(4-methoxybenzyl)-2-(4-tolyl)quinolin-4(1<i>H</i>)-one
• Formula: C39.74 H36.71 Br0.03 N O2
• Calculated formula: C39.7408 H36.7084 Br0.0324 N O2
• 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: 10.567 ± 0.0005 Å
• b: 12.7739 ± 0.0005 Å
• c: 12.9152 ± 0.0005 Å
• α: 109.863 ± 0.002°
• β: 101.516 ± 0.002°
• γ: 105.361 ± 0.002°
• Cell volume: 1498.23 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1406
• 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: Yes
• Has Fobs: No