Information card for entry 1501958

Structure parameters

• Formula: C28 H22 I N O2 S
• Calculated formula: C28 H22 I N O2 S
• SMILES: IC1=C(c2ccccc2)c2ccccc2C1(NS(=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: 10.0605 ± 0.0006 Å
• b: 11.357 ± 0.0006 Å
• c: 11.6434 ± 0.0007 Å
• α: 76.252 ± 0.005°
• β: 68.044 ± 0.006°
• γ: 75.371 ± 0.005°
• Cell volume: 1178.55 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No