Information card for entry 7249594

Structure parameters

• Formula: C15 H12 F3 N3 O3
• Calculated formula: C15 H12 F3 N3 O3
• Title of publication: In situ generated CF3CHN2 with 3-ylideneoxindoles to access CF3-containing pyrazolo[1,5-c]quinazolines derivatives
• Authors of publication: Hu, Ming-Cheng; Zhou, Hai-Tao; Fang, Yu-Chen; Zhang, Li-Ren; Cui, Bao-Dong; Chen, Yong-Zheng; Bai, Mei
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 49
• Pages of publication: 36410 - 36415
• a: 25.8074 ± 0.0013 Å
• b: 4.65278 ± 0.00014 Å
• c: 26.1585 ± 0.0013 Å
• α: 90°
• β: 116.535 ± 0.006°
• γ: 90°
• Cell volume: 2810.1 ± 0.3 ų
• Cell temperature: 99.97 ± 0.15 K
• Ambient diffraction temperature: 99.97 ± 0.15 K
• Number of distinct elements: 5
• 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: 0.1181
• Residual factor for significantly intense reflections: 0.1144
• Weighted residual factors for significantly intense reflections: 0.3068
• Weighted residual factors for all reflections included in the refinement: 0.3085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No