Information card for entry 7238973

Structure parameters

• Formula: C30 H23 N O2 S
• Calculated formula: C30 H23 N O2 S
• Title of publication: A palladium-catalyzed reaction of 2-alkynylbromobenzene with 2-(2-alkynyl)benzenesulfonamide
• Authors of publication: Xiao, Qing; Luo, Yong; Yan, Yujun; Ding, Qiuping; Wu, Jie
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 17
• Pages of publication: 5779
• a: 12.023 ± 0.008 Å
• b: 12.412 ± 0.008 Å
• c: 16.806 ± 0.011 Å
• α: 90°
• β: 109.855 ± 0.007°
• γ: 90°
• Cell volume: 2359 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0623
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No