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Information card for entry 4037158
Preview
Coordinates | 4037158.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H46 Cl2 F6 N2 Pd Sb |
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Calculated formula | C52 H46 Cl2 F6 N2 Pd Sb |
Title of publication | Deuterodechlorination of Aryl/Heteroaryl Chlorides Catalyzed by a Palladium/Unsymmetrical NHC System. |
Authors of publication | Kuriyama, Masami; Hamaguchi, Norihisa; Yano, Gemba; Tsukuda, Kotaro; Sato, Kanako; Onomura, Osamu |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 19 |
Pages of publication | 8934 - 8946 |
a | 14.091 ± 0.002 Å |
b | 12.527 ± 0.002 Å |
c | 27.256 ± 0.004 Å |
α | 90° |
β | 92.128 ± 0.003° |
γ | 90° |
Cell volume | 4807.9 ± 1.2 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 7 |
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 | 0.0813 |
Residual factor for significantly intense reflections | 0.0638 |
Weighted residual factors for significantly intense reflections | 0.1344 |
Weighted residual factors for all reflections included in the refinement | 0.1451 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4037158.html
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