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Information card for entry 7154433
Preview
| Coordinates | 7154433.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H23 N O3 |
|---|---|
| Calculated formula | C26 H23 N O3 |
| SMILES | c1(cc(c(c(c1)OC)OC)OC)c1cc(c2ccccc2)nc(c1)c1ccccc1 |
| 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 | 19.554 ± 0.003 Å |
| b | 14.799 ± 0.0017 Å |
| c | 7.5795 ± 0.0009 Å |
| α | 90° |
| β | 101.157 ± 0.006° |
| γ | 90° |
| Cell volume | 2151.9 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.1024 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.1253 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.941 |
| 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. |
7154433.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. |
7154433.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. |
7154433.cif |
| 135980 | 2015-05-09 | cif/ Adding structures of 7154430, 7154431, 7154432, 7154433, 7154434, 7154435 via cif-deposit CGI script. |
7154433.cif |
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Users of the data should acknowledge the original authors of the
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