Information card for entry 1553762

Structure parameters

• Chemical name: 1-phenyl-2-tosyl-9H-pyrrolo[1,2-a]indole
• Formula: C24 H19 N O2 S
• Calculated formula: C24 H19 N O2 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)c1c(c2n(c1)c1c(C2)cccc1)c1ccccc1
• Title of publication: Direct synthesis of 2-sulfonated 9H-pyrrolo[1,2-a]indoles via NaI-catalyzed cascade radical addition/cyclization/isomerization
• Authors of publication: Zhang, Pengbo; Gao, Yuzhen; Chen, Su; Tang, Guo; Zhao, Yufen
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 7
• Pages of publication: 1350
• a: 16.382 ± 0.004 Å
• b: 18.322 ± 0.004 Å
• c: 14.538 ± 0.003 Å
• α: 90°
• β: 120.472 ± 0.003°
• γ: 90°
• Cell volume: 3760.9 ± 1.5 ų
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No