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Information card for entry 2022699
Preview
| Coordinates | 2022699.cif |
|---|---|
| Structure factors | 2022699.hkl |
| Original IUCr paper | HTML |
| Common name | 2,5-Diimino-8a-methyl-4,9-bis(4-methylphenyl)-7-oxo-6-phenyl-decahydro-2<i>H</i>-3,8-methanopyrano[3,2-<i>c</i>]pyridine-3,4a-dicarbonitrile <i>N</i>,<i>N</i>-dimethylformamide monosolvate |
|---|---|
| Chemical name | 4,10-Diimino-8-methyl-2,11-bis(4-methylphenyl)-6-oxo-5-phenyl-9-oxa-5-azatricyclo[5.3.1.0^3,8^]undecane-1,3-dicarbonitrile <i>N</i>,<i>N</i>-dimethylformamide monosolvate |
| Formula | C35 H34 N6 O3 |
| Calculated formula | C35 H34 N6 O3 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 2,5-di-imino-8a-methyl-4,9-bis-(4-methyl-phen-yl)-7-oxo-6-phenyl-deca-hydro-2<i>H</i>-3,8-methano-pyrano[3,2-<i>c</i>]pyridine-3,4a-dicarbo-nitrile <i>N</i>,<i>N</i>-di-methyl-formamide monosolvate. |
| Authors of publication | Naghiyev, Farid N.; Khrustalev, Victor N.; Novikov, Anton P.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 4 |
| Pages of publication | 254 - 258 |
| a | 17.6747 ± 0.0003 Å |
| b | 15.7656 ± 0.0002 Å |
| c | 10.9086 ± 0.0002 Å |
| α | 90° |
| β | 105.666 ± 0.002° |
| γ | 90° |
| Cell volume | 2926.79 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0666 |
| Residual factor for significantly intense reflections | 0.0587 |
| Weighted residual factors for significantly intense reflections | 0.16 |
| Weighted residual factors for all reflections included in the refinement | 0.1656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283596 (current) | 2023-05-06 | cif/ Updating files of 2022699 Original log message: Adding full bibliography for 2022699.cif. |
2022699.cif 2022699.hkl |
| 281867 | 2023-03-14 | cif/ hkl/ Adding structures of 2022699 via cif-deposit CGI script. |
2022699.cif 2022699.hkl |
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