Information card for entry 7157232

Structure parameters

• Formula: C19 H16 Cl3 N5 O2
• Calculated formula: C19 H16 Cl3 N5 O2
• Title of publication: From simple quinoxalines to potent oxazolo[5,4-f]quinoxaline inhibitors of glycogen-synthase kinase 3 (GSK3).
• Authors of publication: Lassagne, Frédéric; Duguépéroux, Camille; Roca, Carlos; Perez, Concepcion; Martinez, Ana; Baratte, Blandine; Robert, Thomas; Ruchaud, Sandrine; Bach, Stéphane; Erb, William; Roisnel, Thierry; Mongin, Florence
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 18
• Journal issue: 1
• Pages of publication: 154 - 162
• a: 6.9499 ± 0.001 Å
• b: 9.8422 ± 0.0014 Å
• c: 15.3854 ± 0.0019 Å
• α: 87.986 ± 0.005°
• β: 87.262 ± 0.005°
• γ: 69.331 ± 0.005°
• Cell volume: 983.3 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0956
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.2237
• Weighted residual factors for all reflections included in the refinement: 0.2255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No