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Information card for entry 7242925
Preview
| Coordinates | 7242925.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H58 Cl2 N4 O6 S10 |
|---|---|
| Calculated formula | C36 H57.9988 Cl2 N4 O6 S9.9998 |
| 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 | 18.6 ± 0.002 Å |
| b | 9.7722 ± 0.001 Å |
| c | 28.091 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5105.9 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.2347 |
| Residual factor for significantly intense reflections | 0.0998 |
| Weighted residual factors for significantly intense reflections | 0.2187 |
| Weighted residual factors for all reflections included in the refinement | 0.2941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.901 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265534 (current) | 2021-05-27 | cif/ Adding structures of 7242923, 7242924, 7242925 via cif-deposit CGI script. |
7242925.cif |
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Users of the data should acknowledge the original authors of the
structural data.