Information card for entry 7230190

Structure parameters

• Formula: C20 H17 F3 N2 O
• Calculated formula: C20 H17 F3 N2 O
• Title of publication: Eco-friendly reactions in PEG-400: a highly efficient and green approach for stereoselective access to multisubstituted 3,4-dihydro-2(1H)-quinazolines using 2-aminobenzylamines
• Authors of publication: Sharma, Nutan; Sharma, Pankaj; Bhagat, Sunita
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 16
• Pages of publication: 8721
• a: 7.203 ± 0.0007 Å
• b: 10.0784 ± 0.0008 Å
• c: 13.335 ± 0.002 Å
• α: 108.279 ± 0.009°
• β: 92.593 ± 0.01°
• γ: 107.656 ± 0.008°
• Cell volume: 865.3 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.2504
• Weighted residual factors for all reflections included in the refinement: 0.2691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No