Information card for entry 7157233

Structure parameters

• Formula: C18 H18 N6 O S
• Calculated formula: C18 H18 N6 O S
• 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: 15.2934 ± 0.0007 Å
• b: 5.9374 ± 0.0003 Å
• c: 19.2117 ± 0.0011 Å
• α: 90°
• β: 101.042 ± 0.002°
• γ: 90°
• Cell volume: 1712.19 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No