Information card for entry 7121388

Structure parameters

• Chemical name: (S)-1-((4-bromophenyl)sulfonyl)-3-phenyl-2,3-dihydro-1H-benzo[g]indole
• Formula: C24 H18 Br N O2 S
• Calculated formula: C24 H18 Br N O2 S
• Title of publication: Synthesis of indolines via a palladium/norbornene-catalyzed reaction of aziridines with aryl iodides.
• Authors of publication: Liu, Ce; Liang, Yujie; Zheng, Nian; Zhang, Bo-Sheng; Feng, Yuan; Bi, Siwei; Liang, Yong-Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 27
• Pages of publication: 3407 - 3410
• a: 7.0085 ± 0.0004 Å
• b: 10.9667 ± 0.0007 Å
• c: 26.5254 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2038.7 ± 0.2 ų
• Cell temperature: 292.4 ± 0.5 K
• Ambient diffraction temperature: 292.4 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No