Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7154432
Preview
| Coordinates | 7154432.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H13 N O |
|---|---|
| Calculated formula | C17 H13 N O |
| SMILES | c1(ccccc1)c1cc(c2ccccc2)[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 | 6.3743 ± 0.0007 Å |
| b | 10.3034 ± 0.0013 Å |
| c | 10.5322 ± 0.0012 Å |
| α | 80.064 ± 0.004° |
| β | 72.725 ± 0.005° |
| γ | 76.743 ± 0.004° |
| Cell volume | 638.84 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0895 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1378 |
| Weighted residual factors for all reflections included in the refinement | 0.1706 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.854 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 171492 (current) | 2015-12-14 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic and _chemical_name_common tags with placeholder values from multiple entries. |
7154432.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. |
7154432.cif |
| 135980 | 2015-05-09 | cif/ Adding structures of 7154430, 7154431, 7154432, 7154433, 7154434, 7154435 via cif-deposit CGI script. |
7154432.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.