Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7242946
Preview
| Coordinates | 7242946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H18 F3 N3 |
|---|---|
| Calculated formula | C22 H18 F3 N3 |
| Title of publication | Aminations and arylations by direct C‒O activation for the design of 7,8-dihydro-6H-5,8-ethanopyrido[3,2-d]pyrimidines |
| Authors of publication | Laurent, Mazarine; Bostyn, Stéphane; Marchivie, Mathieu; Robin, Yves; Routier, Sylvain; Buron, Frédéric |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 32 |
| Pages of publication | 19363 - 19377 |
| a | 15.3849 ± 0.0012 Å |
| b | 5.8934 ± 0.0004 Å |
| c | 22.187 ± 0.002 Å |
| α | 90° |
| β | 110.051 ± 0.004° |
| γ | 90° |
| Cell volume | 1889.7 ± 0.3 Å3 |
| Cell temperature | 299.59 K |
| Ambient diffraction temperature | 299.59 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.082 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1351 |
| Weighted residual factors for all reflections included in the refinement | 0.1503 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265607 (current) | 2021-05-29 | cif/ Adding structures of 7242946 via cif-deposit CGI script. |
7242946.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.