Information card for entry 1501960

Structure parameters

• Formula: C28 H22 I N O2 S
• Calculated formula: C28 H22 I N O2 S
• SMILES: IC(=C(c1ccccc1)c1ccccc1)/C(=N\S(=O)(=O)c1ccc(cc1)C)c1ccccc1
• 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: 9.2913 ± 0.0004 Å
• b: 29.4694 ± 0.0015 Å
• c: 8.8308 ± 0.0004 Å
• α: 90°
• β: 92.515 ± 0.004°
• γ: 90°
• Cell volume: 2415.62 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No