Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1520032
Preview
| Coordinates | 1520032.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H12 N2 |
|---|---|
| Calculated formula | C22 H12 N2 |
| SMILES | C(#N)c1ccc2ccccc2c1c1c2ccccc2ccc1C#N |
| Title of publication | Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides |
| Authors of publication | Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. |
| Journal of publication | Catal. Sci. Technol. |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 7 |
| Pages of publication | 3822 |
| a | 7.874 ± 0.0008 Å |
| b | 7.9775 ± 0.0008 Å |
| c | 12.3173 ± 0.0011 Å |
| α | 90° |
| β | 92.715 ± 0.002° |
| γ | 90° |
| Cell volume | 772.84 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0414 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1091 |
| Weighted residual factors for all reflections included in the refinement | 0.1111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| 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. |
1520032.cif |
| 143011 | 2015-07-10 | cif/ Updating files of 1520028, 1520029, 1520030, 1520031, 1520032, 1520033, 1520034 Original log message: Adding full bibliography for 1520028--1520034.cif. |
1520032.cif |
| 137449 | 2015-05-28 | cif/ Adding structures of 1520028, 1520029, 1520030, 1520031, 1520032, 1520033, 1520034 via cif-deposit CGI script. |
1520032.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.