Information card for entry 7235254

Structure parameters

• Chemical name: 2-Chloro-1-methylpyridin-1-ium trifluoromethanesulfonate
• Formula: C7 H7 Cl F3 N O3 S
• Calculated formula: C7 H7 Cl F3 N O3 S
• Title of publication: Synthesis of new Pro-PYE ligands as co-catalysts toward Pd-catalyzed Heck‒Mizoroki cross coupling reactions
• Authors of publication: Munir, Naima; Masood, Sara; Liaqat, Faroha; Tahir, Muhammad Nawaz; Yousuf, Sammer; Kalsoom, Saima; Mughal, Ehsan Ullah; Sumrra, Sajjad Hussain; Maalik, Aneela; Zafar, Muhammad Naveed
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 65
• Pages of publication: 37986
• a: 6.6961 ± 0.0005 Å
• b: 9.9947 ± 0.001 Å
• c: 16.1264 ± 0.0014 Å
• α: 90°
• β: 99.272 ± 0.008°
• γ: 90°
• Cell volume: 1065.17 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0536
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No