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Information card for entry 4513443
Preview
Coordinates | 4513443.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H16 F6 N Sb |
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Calculated formula | C21 H16 F6 N Sb |
SMILES | [Sb](F)(F)([F-])(F)(F)F.[n+]12c(c(c3ccccc3)ccc1cccc2)c1ccccc1 |
Title of publication | Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts |
Authors of publication | Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong |
Journal of publication | ACS Catalysis |
Year of publication | 2015 |
Journal volume | 5 |
Journal issue | 8 |
Pages of publication | 4837 |
a | 13.0833 ± 0.0012 Å |
b | 9.1095 ± 0.0008 Å |
c | 33.015 ± 0.003 Å |
α | 90° |
β | 91.371 ± 0.002° |
γ | 90° |
Cell volume | 3933.7 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.03 |
Residual factor for significantly intense reflections | 0.0257 |
Weighted residual factors for significantly intense reflections | 0.0674 |
Weighted residual factors for all reflections included in the refinement | 0.0788 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.202 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
154541 (current) | 2015-09-05 | cif/ Updating files of 4513441, 4513442, 4513443 Original log message: Adding full bibliography for 4513441--4513443.cif. |
4513443.cif |
152482 | 2015-07-24 | cif/ Adding structures of 4513443 via cif-deposit CGI script. |
4513443.cif |
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Users of the data should acknowledge the original authors of the
structural data.