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Information card for entry 7235252
Preview
Coordinates | 7235252.cif |
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Original paper (by DOI) | HTML |
Chemical name | (2E,2'E)-N,N'-(ethane-1,2-diyl)bis(1-methylpyridin-2(1H)-iminium) di-trifluoromethanesulfonate |
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Formula | C16 H20 F6 N4 O6 S2 |
Calculated formula | C16 H20 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 | 6.7528 ± 0.0005 Å |
b | 20.0716 ± 0.0017 Å |
c | 8.2927 ± 0.0009 Å |
α | 90° |
β | 104.01 ± 0.003° |
γ | 90° |
Cell volume | 1090.55 ± 0.17 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0581 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.1162 |
Weighted residual factors for all reflections included in the refinement | 0.1259 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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