Information card for entry 1518486

Structure parameters

• Formula: C21 H14 I N O2 S
• Calculated formula: C21 H14 I N O2 S
• SMILES: IC(=C(c1ccccc1)c1ccccc1)C1=NS(=O)(=O)c2ccccc12
• Title of publication: Lewis Acid Catalyzed Cascade Reaction of 3-(2-Benzenesulfonamide)propargylic Alcohols to Spiro[indene-benzosultam]s.
• Authors of publication: Sun, Lang; Zhu, Yuanxun; Wang, Jing; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 242 - 245
• a: 8.195 ± 0.0005 Å
• b: 10.1773 ± 0.0006 Å
• c: 11.9407 ± 0.0008 Å
• α: 86.942 ± 0.005°
• β: 83.912 ± 0.005°
• γ: 76.661 ± 0.005°
• Cell volume: 963.13 ± 0.11 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: 0.042
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No