Information card for entry 2214641

Structure parameters

• Chemical name: 2-Isopropyl-4-(phenylsulfonyl)-1,2,3,4-tetrahydropyrrolo[3,4-b]indole
• Formula: C19 H19 N2 O2 S
• Calculated formula: C19 H19 N2 O2 S
• Title of publication: 2-Isopropyl-4-(phenylsulfonyl)-1,2,3,4-tetrahydropyrrolo[3,4-<i>b</i>]indole
• Authors of publication: Kishbaugh, Tara L. S.; Gribble, Gordon W.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3408 - o3408
• a: 8.196 ± 0.002 Å
• b: 9.559 ± 0.003 Å
• c: 12.359 ± 0.002 Å
• α: 70.801 ± 0.019°
• β: 98.54 ± 0.02°
• γ: 108.88 ± 0.02°
• Cell volume: 864.3 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1785
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes