Information card for entry 7061560

Structure parameters

• Formula: C19 H14 N
• Calculated formula: C19 H14 N
• Title of publication: Assembly of unsymmetrical 1,3,5-triarylbenzenes via tandem reaction of β-arylethenesulfonyl fluorides and α-cyano-β-methylenones
• Authors of publication: Zhang, Fang; An, Yi; Liu, Jichang; Du, Guangfen; Cai, Zhihua; He, Lin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 12367 - 12371
• a: 14.1719 ± 0.0005 Å
• b: 8.9226 ± 0.0003 Å
• c: 5.6638 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 716.19 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No