Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7154287
Preview
| Coordinates | 7154287.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H15 I N2 O2 |
|---|---|
| Calculated formula | C22 H15 I N2 O2 |
| SMILES | Ic1ccc(n2c(c3ccccc3)c(N(=O)=O)cc2c2ccccc2)cc1 |
| Title of publication | Expedient synthesis of tetrasubstituted pyrroles via a copper-catalyzed cascade inter-/intramolecular cyclization of 1,3-enynes carry a nitro group with amines. |
| Authors of publication | Bharathiraja, Ganesan; Sengoden, Mani; Kannan, Masanam; Punniyamurthy, Tharmalingam |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2015 |
| Journal volume | 13 |
| Journal issue | 9 |
| Pages of publication | 2786 - 2792 |
| a | 9.5097 ± 0.0004 Å |
| b | 10.4987 ± 0.0004 Å |
| c | 19.3484 ± 0.0007 Å |
| α | 90° |
| β | 96.431 ± 0.002° |
| γ | 90° |
| Cell volume | 1919.58 ± 0.13 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 | 0.0561 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.1179 |
| Weighted residual factors for all reflections included in the refinement | 0.1328 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.914 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180328 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/42. |
7154287.cif |
| 133563 | 2015-03-06 | cif/ Updating files of 7154287 Original log message: Adding full bibliography for 7154287.cif. |
7154287.cif |
| 129579 | 2015-01-13 | cif/ Adding structures of 7154287 via cif-deposit CGI script. |
7154287.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.