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Information card for entry 1513395
Preview
Coordinates | 1513395.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H16 Cu2 F6 N4 Se2 |
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Calculated formula | C26 H16 Cu2 F6 N4 Se2 |
SMILES | [Se]1([Cu]23([Se]([Cu]412[n]1cccc2c1c1[n]4cccc1cc2)C(F)(F)F)[n]1cccc2c1c1[n]3cccc1cc2)C(F)(F)F |
Title of publication | Copper-catalyzed trifluoromethylselenolation of aryl and alkyl halides: the silver effect in transmetalation. |
Authors of publication | Chen, Chaohuang; Hou, Chuanqi; Wang, Yuguang; Hor, T. S. Andy; Weng, Zhiqiang |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 2 |
Pages of publication | 524 - 527 |
a | 10.015 ± 0.002 Å |
b | 17.961 ± 0.004 Å |
c | 8.0294 ± 0.0016 Å |
α | 90° |
β | 114.14 ± 0.03° |
γ | 90° |
Cell volume | 1318 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 12 |
Hermann-Mauguin space group symbol | C 1 2/m 1 |
Hall space group symbol | -C 2y |
Residual factor for all reflections | 0.1278 |
Residual factor for significantly intense reflections | 0.0837 |
Weighted residual factors for significantly intense reflections | 0.2245 |
Weighted residual factors for all reflections included in the refinement | 0.3221 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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