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Information card for entry 7112013
Preview
| Coordinates | 7112013.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | C16 H10 N O2 Br |
|---|---|
| Formula | C16 H10 Br N O2 |
| Calculated formula | C16 H10 Br N O2 |
| SMILES | Br/C=C(c1ccccc1)\N1C(=O)c2c(C1=O)cccc2 |
| Title of publication | Alkyne aminohalogenation enabled by DBU-activated N-haloimides: direct synthesis of halogenated enamines |
| Authors of publication | Mengru Li; Haiyan Yuan; Baozhong Zhao; Fushun Liang; Jingping Zhang |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 2360 |
| a | 7.5646 ± 0.001 Å |
| b | 8.0027 ± 0.0011 Å |
| c | 12.4858 ± 0.0016 Å |
| α | 107.363 ± 0.002° |
| β | 94.428 ± 0.002° |
| γ | 103.078 ± 0.002° |
| Cell volume | 694.13 ± 0.16 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0643 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1133 |
| Weighted residual factors for all reflections included in the refinement | 0.1262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180234 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20. |
7112013.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7112013.cif |
| 103341 | 2014-02-28 | cif/ Adding structures of 7112013 via cif-deposit CGI script. |
7112013.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.