Information card for entry 7250813

Structure parameters

• Formula: C12 H9 F N4 O2
• Calculated formula: C12 H9 F N4 O2
• Title of publication: A PASE synthesis of tetrazoloquinolines and its applications in the syntheses of bioactive compounds
• Authors of publication: Zhang, Xiaofeng; Nallapati, Sashirekha; Johnson, Shea; Chen, Xian; Lim, Jongwon
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 36
• Pages of publication: 10980 - 10987
• a: 4.1879 ± 0.0001 Å
• b: 19.4145 ± 0.0003 Å
• c: 13.7194 ± 0.0003 Å
• α: 90°
• β: 97.095 ± 0.002°
• γ: 90°
• Cell volume: 1106.93 ± 0.04 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No