Information card for entry 2212616

Structure parameters

• Chemical name: [1-(Benzylsulfonyl)-3-(4-nitrophenyl)-1,2,3,4-tetrahydroquinoxalin-2-yl](4- bromophenyl)methanone 2-methylpropanol hemisolvate
• Formula: C30 H27 Br N3 O5.5 S
• Calculated formula: C30 H27 Br N3 O5.5 S
• Title of publication: [1-(Benzylsulfonyl)-3-(4-nitrophenyl)-1,2,3,4-tetrahydroquinoxalin-2-yl](4-bromophenyl)methanone 2-methylpropanol hemisolvate
• Authors of publication: Oleg Ya. Borbulevych
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1372 - o1374
• a: 9.768 ± 0.004 Å
• b: 11.002 ± 0.005 Å
• c: 15.026 ± 0.009 Å
• α: 73.84 ± 0.04°
• β: 71.68 ± 0.04°
• γ: 77.04 ± 0.04°
• Cell volume: 1455.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes