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Information card for entry 1506066
Preview
Coordinates | 1506066.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H14 F3 N3 O3 |
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Calculated formula | C18 H14 F3 N3 O3 |
SMILES | FC(F)(F)C(=O)N(C(C(=N#N)C(=O)OC)c1ccccc1)c1ccccc1 |
Title of publication | 2,3-migration in Rh(II)-catalyzed reactions of beta-trifluoroacetamido alpha-diazocarbonyl compounds. |
Authors of publication | Xu, Feng; Zhang, Shiwei; Wu, Xiangnan; Liu, Yu; Shi, Weifeng; Wang, Jianbo |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 15 |
Pages of publication | 3207 - 3210 |
a | 25.699 ± 0.005 Å |
b | 9.435 ± 0.0019 Å |
c | 15.604 ± 0.003 Å |
α | 90° |
β | 98.96 ± 0.03° |
γ | 90° |
Cell volume | 3737.3 ± 1.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0883 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.0804 |
Weighted residual factors for all reflections included in the refinement | 0.0873 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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