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Information card for entry 4030754
Preview
| Coordinates | 4030754.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H12 N2 O2 |
|---|---|
| Calculated formula | C18 H12 N2 O2 |
| SMILES | o1c(ncc1c1ccccc1)c1n(=O)c2c(cc1)cccc2 |
| Title of publication | Copper-mediated formally dehydrative biaryl coupling of azine N-oxides and oxazoles. |
| Authors of publication | Odani, Riko; Hirano, Koji; Satoh, Tetsuya; Miura, Masahiro |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2015 |
| Journal volume | 80 |
| Journal issue | 4 |
| Pages of publication | 2384 - 2391 |
| a | 10.2831 ± 0.0011 Å |
| b | 21.4073 ± 0.0019 Å |
| c | 25.129 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5531.7 ± 0.9 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0856 |
| Weighted residual factors for all reflections included in the refinement | 0.2145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178486 (current) | 2016-03-21 | cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/07. |
4030754.cif |
| 132716 | 2015-03-04 | cif/ Adding structures of 4030754 via cif-deposit CGI script. |
4030754.cif |
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Users of the data should acknowledge the original authors of the
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