Information card for entry 2229555

Structure parameters

• Chemical name: 3-(5-Phenyl-4-phenylsulfonyl-1-<i>p</i>-tolyl-1<i>H</i>-pyrazol-3-yl)- 1,2-dihydroquinoxaline
• Formula: C30 H24 N4 O2 S
• Calculated formula: C30 H24 N4 O2 S
• Title of publication: 3-(5-Phenyl-4-phenylsulfonyl-1-<i>p</i>-tolyl-1<i>H</i>-pyrazol-3-yl)-1,2-dihydroquinoxaline
• Authors of publication: Abdel-Aziz, Hatem A.; Bari, Ahmed; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o695
• a: 6.2829 ± 0.0002 Å
• b: 24.5162 ± 0.0007 Å
• c: 15.918 ± 0.0005 Å
• α: 90°
• β: 91.925 ± 0.003°
• γ: 90°
• Cell volume: 2450.51 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0948
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes