Information card for entry 7235250

Structure parameters

• Chemical name: (2E,2'E)-N,N'-(cyclohexane-1,2-diyl)bis(1-methylpyridin-2(1H)-iminium) di-trifluoromethanesulfonate
• Formula: C20 H26 F6 N4 O6 S2
• Calculated formula: C20 H26 F6 N4 O6 S2
• 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: 15.5634 ± 0.0003 Å
• b: 12.4382 ± 0.0002 Å
• c: 12.8282 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2483.29 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No