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Information card for entry 1554978
Preview
| Coordinates | 1554978.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H10 Br N O4 |
|---|---|
| Calculated formula | C16 H10 Br N O4 |
| SMILES | Brc1cc(C(=O)CON2C(=O)c3c(C2=O)cccc3)ccc1 |
| Title of publication | Copper(II)-catalyzed direct dioxygenation of alkenes with air and N-hydroxyphthalimide: synthesis of β-keto-N-alkoxyphthalimides. |
| Authors of publication | Bag, Raghunath; Sar, Dinabandhu; Punniyamurthy, Tharmalingam |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 8 |
| Pages of publication | 2010 - 2013 |
| a | 12.4447 ± 0.0011 Å |
| b | 15.6502 ± 0.0013 Å |
| c | 7.9646 ± 0.0007 Å |
| α | 90° |
| β | 105.739 ± 0.006° |
| γ | 90° |
| Cell volume | 1493 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1404 |
| Residual factor for significantly intense reflections | 0.0738 |
| Weighted residual factors for significantly intense reflections | 0.1947 |
| Weighted residual factors for all reflections included in the refinement | 0.2308 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238249 (current) | 2019-11-24 | cif/ Adding structures of 1554978 via cif-deposit CGI script. |
1554978.cif |
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Users of the data should acknowledge the original authors of the
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