Information card for entry 1544397

Structure parameters

• Chemical name: 1-(2'-Ethoxy-4'-fluoro-[1,1'-biphenyl]-4-yl)-4-phenyl-1<i>H</i>-1,2,3-triazole
• Formula: C22 H18 F N3 O
• Calculated formula: C22 H18 F N3 O
• SMILES: Fc1cc(OCC)c(c2ccc(n3nnc(c3)c3ccccc3)cc2)cc1
• Title of publication: 1-(2'-Ethoxy-4'-fluoro-[1,1'-biphenyl]-4-yl)-4-phenyl-1<i>H</i>-1,2,3-triazole
• Authors of publication: Gilandoust, Maryam; Naveen, S.; Harsha, K. B.; Lokanath, N. K.; Rangappa, K. S.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 10
• Pages of publication: x161712
• a: 24.392 ± 0.003 Å
• b: 5.9336 ± 0.0008 Å
• c: 12.3651 ± 0.0016 Å
• α: 90°
• β: 100.828 ± 0.008°
• γ: 90°
• Cell volume: 1757.8 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0676
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes