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Information card for entry 2022937
Preview
| Coordinates | 2022937.cif |
|---|---|
| Structure factors | 2022937.hkl |
| Original IUCr paper | HTML |
| Chemical name | 10-Hydroxy-2-(4-methoxyphenyl)-3-oxo-2,3,3a,4,10,10a-hexahydro-1<i>H</i>-9-thia-2-azacyclopenta[<i>b</i>]fluorene-4-carboxylic acid dimethyl sulfoxide-<i>d</i>~6~ monosolvate |
|---|---|
| Formula | C24 H19 D6 N O6 S2 |
| Calculated formula | C24 H19 D6 N O6 S2 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 10-hydroxy-2-(4-methoxyphenyl)-3-oxo-2,3,3a,4,10,10a-hexahydro-1H-9-thia-2-azacyclopenta[b]fluorene-4-carboxylic acid dimethyl sulfoxide-d 6 monosolvate |
| Authors of publication | Mammadova, Gunay Z.; Yakovleva, Elizaveta D.; Erokhin, Pavel P.; Grigoriev, Mikhail S.; Atioğlu, Zeliha; Azizova, Asmet N.; Akkurt, Mehmet; Bhattarai, Ajaya |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 12 |
| Pages of publication | 1127 - 1131 |
| a | 16.3178 ± 0.0004 Å |
| b | 9.2747 ± 0.0002 Å |
| c | 14.872 ± 0.0004 Å |
| α | 90° |
| β | 93.771 ± 0.001° |
| γ | 90° |
| Cell volume | 2245.9 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0586 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1233 |
| Weighted residual factors for all reflections included in the refinement | 0.1292 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288947 (current) | 2024-01-07 | cif/ Updating files of 2022937 Original log message: Adding full bibliography for 2022937.cif. |
2022937.cif 2022937.hkl |
| 287539 | 2023-11-11 | cif/ hkl/ Adding structures of 2022937 via cif-deposit CGI script. |
2022937.cif 2022937.hkl |
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