Information card for entry 2206930

Structure parameters

• Chemical name: 6,7-Dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine diethanol solvate
• Formula: C21 H26 F3 N3 O4
• Calculated formula: C21 H26 F3 N3 O4
• Title of publication: 6,7-Dimethoxy-<i>N</i>-[3-(trifluoromethyl)phenyl]quinazolin-4-amine ethanol disolvate
• Authors of publication: Xia, Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3380 - o3382
• a: 8.7035 ± 0.0007 Å
• b: 9.7426 ± 0.0008 Å
• c: 14.5212 ± 0.0009 Å
• α: 70.652 ± 0.004°
• β: 89.493 ± 0.001°
• γ: 77.484 ± 0.003°
• Cell volume: 1131.52 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0749
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes