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Information card for entry 2243750
Preview
| Coordinates | 2243750.cif |
|---|---|
| Structure factors | 2243750.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-[9-(2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,4a,5,6,7,8a,9,9a,10,10a-dodecahydroacridin-10-yl]acetate |
|---|---|
| Formula | C27 H33 N O5 |
| Calculated formula | C27 H33 N O5 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of ethyl 2-[9-(2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,4a,5,6,7,8a,9,9a,10,10a-dodecahydroacridin-10-yl]acetate |
| Authors of publication | Allah, Omyma A. A. Abd; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Jasinski, Jerry P.; Elgarhy, Sahar M. I. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 3 |
| Pages of publication | 247 - 250 |
| a | 9.5289 ± 0.0002 Å |
| b | 18.6653 ± 0.0005 Å |
| c | 13.8046 ± 0.0003 Å |
| α | 90° |
| β | 96.41 ± 0.002° |
| γ | 90° |
| Cell volume | 2439.93 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0534 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.119 |
| Weighted residual factors for all reflections included in the refinement | 0.1264 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261940 (current) | 2021-02-13 | cif/ hkl/ Adding structures of 2243750 via cif-deposit CGI script. |
2243750.cif 2243750.hkl |
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