Information card for entry 7133736

Structure parameters

• Formula: C30 H20 F N3 O3
• Calculated formula: C30 H20 F N3 O3
• Title of publication: Base-Promoted Multicomponent Synthesis of 1,2,4-Triazole-Based Hybrids from 1,3-Diones, β-Nitrostyrenes, and Hydrazones
• Authors of publication: Sreelekha, Mariswamy K.; Robert, Jijin K.; Nayak, Kalinga H.; Babu, Beneesh P.
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 10.9993 ± 0.0007 Å
• b: 14.9425 ± 0.0012 Å
• c: 14.7473 ± 0.001 Å
• α: 90°
• β: 94.972 ± 0.004°
• γ: 90°
• Cell volume: 2414.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1455
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.2218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No