Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1555303
Preview
| Coordinates | 1555303.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H9 N3 O |
|---|---|
| Calculated formula | C10 H9 N3 O |
| Title of publication | Elements as Direct Feedstocks for Organic Synthesis: Fe/I2/O2 for Diamination of 2-Cyclohexenones with 2-Aminopyrimidine and 2-Aminopyridines. |
| Authors of publication | Nguyen, Thanh Binh; Corbin, Mathilde; Retailleau, Pascal; Ermolenko, Ludmila; Al-Mourabit, Ali |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 20 |
| Pages of publication | 4956 - 4959 |
| a | 17.897 ± 0.003 Å |
| b | 4.7536 ± 0.0007 Å |
| c | 21.443 ± 0.004 Å |
| α | 90° |
| β | 105.729 ± 0.004° |
| γ | 90° |
| Cell volume | 1756 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0731 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1048 |
| Weighted residual factors for all reflections included in the refinement | 0.122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238448 (current) | 2019-11-24 | cif/ Adding structures of 1555303 via cif-deposit CGI script. |
1555303.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.