Information card for entry 7157692

Structure parameters

• Formula: C20 H12 F2 N2
• Calculated formula: C20 H12 F2 N2
• SMILES: Fc1c(c2nc3ccccc3c(n2)c2ccccc2)c(F)ccc1
• Title of publication: TMSOTf-catalyzed synthesis of substituted quinazolines using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions.
• Authors of publication: Chan, Chieh-Kai; Lai, Chien-Yu; Wang, Cheng-Chung
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 36
• Pages of publication: 7201 - 7212
• a: 7.8602 ± 0.0002 Å
• b: 8.983 ± 0.0002 Å
• c: 11.3189 ± 0.0003 Å
• α: 94.775 ± 0.001°
• β: 108.443 ± 0.001°
• γ: 100.754 ± 0.001°
• Cell volume: 736.11 ± 0.03 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No