Information card for entry 2208098

Structure parameters

• Chemical name: 3-Ethylsulfonyl-2-phenylquinoxaline 1,4-dioxide
• Formula: C16 H14 N2 O4 S
• Calculated formula: C16 H14 N2 O4 S
• SMILES: S(=O)(=O)(c1n(=O)c2ccccc2n(=O)c1c1ccccc1)CC
• Title of publication: 3-Ethylsulfonyl-2-phenylquinoxaline 1,4-dioxide
• Authors of publication: Fa-Qin Jiang; Yong-Zhou Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o649 - o650
• a: 10.261 ± 0.005 Å
• b: 8.573 ± 0.004 Å
• c: 17.898 ± 0.007 Å
• α: 90°
• β: 104.415 ± 0.016°
• γ: 90°
• Cell volume: 1524.9 ± 1.2 ų
• Cell temperature: 298 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes