Information card for entry 7159402

Structure parameters

• Formula: C34 H21 F N4
• Calculated formula: C34 H21 F N4
• SMILES: Fc1c2c(nc(nc2c2ccccc2)c2ccccc2)cc2nc(nc(c12)c1ccccc1)c1ccccc1
• Title of publication: <i>ortho</i>-Lithiation driven one-pot synthesis of quinazolines <i>via</i> [2 + 2 + 2] cascade annulation of halofluorobenzenes with nitriles.
• Authors of publication: Hsueh, Jen-Chun; Szu, Fu-En; Yu, Yin-Yin; Leung, Man-Kit
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 25
• Pages of publication: 5297 - 5304
• a: 18.0446 ± 0.0006 Å
• b: 11.8808 ± 0.0004 Å
• c: 11.2129 ± 0.0004 Å
• α: 90°
• β: 94.5198 ± 0.0012°
• γ: 90°
• Cell volume: 2396.39 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No