Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7242924
Preview
| Coordinates | 7242924.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H5 F N2 |
|---|---|
| Calculated formula | C10 H5 F N2 |
| SMILES | c1(C=C(C#N)C#N)ccc(F)cc1 |
| Title of publication | Metal-free multicomponent synthesis of novel macrocyclic tetrathiadienes with cyano and amino groups |
| Authors of publication | Akhmadiev, Nail S.; Mescheryakova, Ekaterina S.; Akhmetova, Vnira R.; Ibragimov, Askhat G. |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 31 |
| Pages of publication | 18768 - 18775 |
| a | 6.9541 ± 0.0007 Å |
| b | 7.3664 ± 0.0005 Å |
| c | 9.1492 ± 0.001 Å |
| α | 107.194 ± 0.008° |
| β | 99.036 ± 0.009° |
| γ | 102.848 ± 0.008° |
| Cell volume | 423.86 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0605 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.119 |
| Weighted residual factors for all reflections included in the refinement | 0.1335 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265534 (current) | 2021-05-27 | cif/ Adding structures of 7242923, 7242924, 7242925 via cif-deposit CGI script. |
7242924.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.