Information card for entry 7062063

Structure parameters

• Chemical name: C25 H17 N1 Se1
• Formula: C50 H34 N2 Se2
• Calculated formula: C50 H34 N2 Se2
• Title of publication: Synthesis and biological evaluation of 5-chalcogenyl-benzo[h]quinolines via photocyclization of arylethynylpyridine derivatives
• Authors of publication: Peglow, Thiago J.; Martins, Carolina C.; da Motta, Ketlyn P.; Luchese, Cristiane; Wilhelm, Ethel A.; Stieler, Rafael; Schneider, Paulo H.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 48
• Pages of publication: 23030 - 23038
• a: 10.0656 ± 0.0002 Å
• b: 10.1363 ± 0.0002 Å
• c: 19.2948 ± 0.0004 Å
• α: 103.33 ± 0.001°
• β: 94.428 ± 0.001°
• γ: 94.813 ± 0.001°
• Cell volume: 1899.33 ± 0.07 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No