Information card for entry 7157690

Structure parameters

• Formula: C20 H12 F N2
• Calculated formula: C20 H12 F N2
• 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: 10.3439 ± 0.0004 Å
• b: 6.8286 ± 0.0002 Å
• c: 20.1913 ± 0.0007 Å
• α: 90°
• β: 97.86 ± 0.001°
• γ: 90°
• Cell volume: 1412.8 ± 0.08 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No