Information card for entry 7159343

Structure parameters

• Formula: C27 H19 F2 N3
• Calculated formula: C27 H19 F2 N3
• SMILES: Fc1cc(C2N=C(N(c3ccccc3)C(N=2)c2ccccc2)c2cc(F)ccc2)ccc1
• Title of publication: Construction of 1,2-dihydro-1,3,5-triazines <i>via</i> reactions involving amidines.
• Authors of publication: Guo, Honghong; Lin, Jianying; Liu, Qiang; Li, Xing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 20
• Pages of publication: 4269 - 4275
• a: 10.1865 ± 0.0002 Å
• b: 11.3004 ± 0.0002 Å
• c: 19.1635 ± 0.0004 Å
• α: 90°
• β: 103.307 ± 0.002°
• γ: 90°
• Cell volume: 2146.71 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No