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Information card for entry 7154431
Preview
| Coordinates | 7154431.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H14 Cl N O2 |
|---|---|
| Calculated formula | C18 H14 Cl N O2 |
| SMILES | c1(ccc(cc1)OC)c1cc(c2ccc(cc2)Cl)[nH]c(=O)c1 |
| Title of publication | Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines. |
| Authors of publication | Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2015 |
| Journal volume | 13 |
| Journal issue | 21 |
| Pages of publication | 5944 - 5954 |
| a | 15.8518 ± 0.001 Å |
| b | 7.2952 ± 0.0005 Å |
| c | 13.5752 ± 0.0007 Å |
| α | 90° |
| β | 106.043 ± 0.003° |
| γ | 90° |
| Cell volume | 1508.72 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0795 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.1443 |
| Weighted residual factors for all reflections included in the refinement | 0.1642 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7154431.cif |
| 171492 | 2015-12-14 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic and _chemical_name_common tags with placeholder values from multiple entries. |
7154431.cif |
| 138843 | 2015-06-07 | cif/ Updating files of 7154430, 7154431, 7154432, 7154433, 7154434, 7154435 Original log message: Adding full bibliography for 7154430--7154435.cif. |
7154431.cif |
| 135980 | 2015-05-09 | cif/ Adding structures of 7154430, 7154431, 7154432, 7154433, 7154434, 7154435 via cif-deposit CGI script. |
7154431.cif |
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Users of the data should acknowledge the original authors of the
structural data.