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Information card for entry 1516073
Preview
Coordinates | 1516073.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H14 N2 O3 |
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Calculated formula | C13 H13 N2 O3 |
SMILES | c1ccc(cc1)C(=O)CN1C(=O)NC(C1=O)(C)C |
Title of publication | One-pot cascade leading to direct α-imidation of ketones by a combination of N-bromosuccinimide and 1,8-diazabicyclo[5.4.1]undec-7-ene |
Authors of publication | Wei, Ying; Lin, Shaoxia; Liang, Fushun |
Journal of publication | Organic Letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 16 |
Pages of publication | 4202 - 4205 |
a | 12.369 ± 0.005 Å |
b | 19.662 ± 0.005 Å |
c | 11.036 ± 0.005 Å |
α | 90° |
β | 108.049 ± 0.005° |
γ | 90° |
Cell volume | 2551.9 ± 1.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0929 |
Residual factor for significantly intense reflections | 0.0533 |
Weighted residual factors for significantly intense reflections | 0.1306 |
Weighted residual factors for all reflections included in the refinement | 0.1566 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Duplicate of | 1508349 |
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/1516073.html
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