Information card for entry 8105079

Structure parameters

• Formula: C23 H17 N3
• Calculated formula: C23 H17 N3
• Title of publication: The crystal structure of 1-benzyl-4-(2-(phenylethynyl)phenyl)-1H-1,2,3-triazole, C23H17N3
• Authors of publication: Liu, Quan; Xiong, Guowei; Chen, Yunfeng; Li, Yuanxiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 2
• Pages of publication: 269 - 270
• a: 11.7817 ± 0.0014 Å
• b: 5.3165 ± 0.0006 Å
• c: 14.1747 ± 0.0016 Å
• α: 90°
• β: 95.731 ± 0.002°
• γ: 90°
• Cell volume: 883.43 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No