Information card for entry 1518485

Structure parameters

• Formula: C22 H16 I N O2 S
• Calculated formula: C22 H16 I N O2 S
• SMILES: IC1=C(c2c(C31N(S(=O)(=O)c1ccccc31)C)cccc2)c1ccccc1
• 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: 8.0428 ± 0.0005 Å
• b: 19.587 ± 0.0008 Å
• c: 12.8121 ± 0.0007 Å
• α: 90°
• β: 104.921 ± 0.006°
• γ: 90°
• Cell volume: 1950.29 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0459
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No