Information card for entry 2232416

Structure parameters

• Chemical name: (Phenyl)(3-phenylsulfonyl-1,2-dihydropyrrolo[1,2-<i>a</i>]quinoxalin-1- yl)methanone
• Formula: C24 H18 N2 O3 S
• Calculated formula: C24 H18 N2 O3 S
• SMILES: S(=O)(=O)(C1=C2N(c3c(N=C2)cccc3)C(C1)C(=O)c1ccccc1)c1ccccc1
• Title of publication: (Phenyl)(3-phenylsulfonyl-1,2-dihydropyrrolo[1,2-<i>a</i>]quinoxalin-1-yl)methanone
• Authors of publication: Dürüst, Yaşar; Sağırlı, Akın; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2859 - o2860
• a: 19.0915 ± 0.0009 Å
• b: 9.9636 ± 0.0005 Å
• c: 10.4203 ± 0.0005 Å
• α: 90°
• β: 104.619 ± 0.0013°
• γ: 90°
• Cell volume: 1917.98 ± 0.16 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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: 0.0297
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes