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Information card for entry 2022983
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| Coordinates | 2022983.cif |
|---|---|
| Structure factors | 2022983.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-Benzyl-2-[bis(1<i>H</i>-pyrrol-2-yl)methyl]thiophene |
|---|---|
| Formula | C20 H18 N2 S |
| Calculated formula | C20 H18 N2 S |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 3-benzyl-2-[bis(1<i>H</i>-pyrrol-2-yl)methyl]thiophene. |
| Authors of publication | Sadikhova, Nurlana D.; Atioğlu, Zeliha; Guliyeva, Narmina A.; Shelukho, Evgeniya R.; Polyanskaya, Darya K.; Khrustalev, Victor N.; Akkurt, Mehmet; Bhattarai, Ajaya |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 1 |
| Pages of publication | 72 - 77 |
| a | 7.74413 ± 0.00003 Å |
| b | 7.74413 ± 0.00003 Å |
| c | 53.4131 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3203.27 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 78 |
| Hermann-Mauguin space group symbol | P 43 |
| Hall space group symbol | P 4cw |
| Residual factor for all reflections | 0.0294 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0765 |
| Weighted residual factors for all reflections included in the refinement | 0.077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289685 (current) | 2024-02-05 | cif/ Updating files of 2022983 Original log message: Adding full bibliography for 2022983.cif. |
2022983.cif 2022983.hkl |
| 288521 | 2023-12-23 | cif/ hkl/ Adding structures of 2022983 via cif-deposit CGI script. |
2022983.cif 2022983.hkl |
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Users of the data should acknowledge the original authors of the
structural data.