Information card for entry 7111062

Structure parameters

• Formula: C18 H14 Cl2 F2 N2 O2
• Calculated formula: C18 H Cl2 F2 N2 O2
• Title of publication: A novel intramolecular defluorinative cyclization approach to the synthesis of difluoromethylated quinazolic acid derivatives
• Authors of publication: Hao, Jian; Ohkura, Hironari; Amii, Hideki; Uneyama, Kenji
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 19
• Pages of publication: 1883
• a: 8.7877 ± 0.0006 Å
• b: 13.1474 ± 0.0007 Å
• c: 8.7626 ± 0.0004 Å
• α: 96.347 ± 0.002°
• β: 113.782 ± 0.004°
• γ: 78.837 ± 0.002°
• Cell volume: 908.3 ± 0.09 ų
• Cell temperature: 288.2 K
• Ambient diffraction temperature: 288.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.0896
• Goodness-of-fit parameter for significantly intense reflections: 10.376
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No