Information card for entry 1501959

Structure parameters

• Formula: C29 H23 Cl I N O3 S
• Calculated formula: C29 H23 Cl I N O3 S
• SMILES: IC1=C(c2ccc(OC)cc2C1(NS(=O)(=O)c1ccc(cc1)C)c1ccccc1)c1ccc(Cl)cc1
• Title of publication: Tandem reaction of propargylic alcohol, sulfonamide, and N-iodosuccinimide: synthesis of N-(2-iodoinden-1-yl)arenesulfonamide.
• Authors of publication: Zhu, Yuanxun; Yin, Guangwei; Hong, Deng; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1024 - 1027
• a: 13.5075 ± 0.0006 Å
• b: 14.2341 ± 0.0007 Å
• c: 14.5006 ± 0.0005 Å
• α: 89.032 ± 0.003°
• β: 85.245 ± 0.003°
• γ: 72.767 ± 0.004°
• Cell volume: 2653.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No