Information card for entry 1555457

Structure parameters

• Formula: C23 H18 N2 O3 S
• Calculated formula: C23 H18 N2 O3 S
• SMILES: c1ccccc1C(=O)Nc1ccc(c2c1nccc2)S(=O)(=O)c1ccc(cc1)C
• Title of publication: Copper(I)-Catalyzed Sulfonylation of 8-Aminoquinoline Amides with Sulfonyl Chlorides in Air.
• Authors of publication: Qiao, Huijie; Sun, Suyan; Yang, Fan; Zhu, Yu; Zhu, Weiguo; Dong, Yaxi; Wu, Yusheng; Kong, Xiangtao; Jiang, Ling; Wu, Yangjie
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 6086 - 6089
• a: 9.5468 ± 0.0005 Å
• b: 10.4076 ± 0.0006 Å
• c: 11.3179 ± 0.0007 Å
• α: 103.653 ± 0.005°
• β: 93.612 ± 0.005°
• γ: 114.414 ± 0.006°
• Cell volume: 978.53 ± 0.12 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No