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Information card for entry 7235254
Preview
| Coordinates | 7235254.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231192 (current) | 2019-11-22 | cif/ Adding structures of 7235250, 7235251, 7235252, 7235253, 7235254 via cif-deposit CGI script. |
7235254.cif |
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Users of the data should acknowledge the original authors of the
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