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Information card for entry 2243333
Preview
| Coordinates | 2243333.cif |
|---|---|
| Structure factors | 2243333.hkl |
| Original IUCr paper | HTML |
| Chemical name | 10-Benzyl-9-(3-ethoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione |
|---|---|
| Formula | C32 H37 N O4 |
| Calculated formula | C32 H37 N O4 |
| Title of publication | Crystal structure, Hirshfeld surface and frontier molecular orbital analysis of 10-benzyl-9-(3-ethoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione |
| Authors of publication | Suresh Babu, N.; Sughanya, V.; Dhandapani, A.; Kalaivanan, R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 4 |
| Pages of publication | 585 - 588 |
| a | 10.578 ± 0.0002 Å |
| b | 18.419 ± 0.0005 Å |
| c | 14.398 ± 0.0003 Å |
| α | 90° |
| β | 108.791 ± 0.001° |
| γ | 90° |
| Cell volume | 2655.73 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0728 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1189 |
| Weighted residual factors for all reflections included in the refinement | 0.1385 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249822 (current) | 2020-03-28 | cif/ hkl/ Adding structures of 2243333 via cif-deposit CGI script. |
2243333.cif 2243333.hkl |
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Users of the data should acknowledge the original authors of the
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