Information card for entry 7129924

Structure parameters

• Formula: C23 H19 N O3 S
• Calculated formula: C23 H19 N O3 S
• Title of publication: Photocatalytic Markovnikov-type addition and cyclization of terminal alkynes leading to 4-sulfonyl quinoline-2(1H)-ones
• Authors of publication: Zhai, Yu-Lin; Zhou, Hui; Liu, Qing-Quan; Leng, Bo-Rong; Zhang, Zixian; Li, Jia-Zhuo; Wang, De-Cai; Zhu, Yi-Long
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.0023 ± 0.0009 Å
• b: 12.4729 ± 0.0013 Å
• c: 16.0823 ± 0.0015 Å
• α: 90°
• β: 90.973 ± 0.002°
• γ: 90°
• Cell volume: 1805.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No