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Information card for entry 2241048
Preview
| Coordinates | 2241048.cif |
|---|---|
| Structure factors | 2241048.hkl |
| Original IUCr paper | HTML |
| Chemical name | 10-Benzyl-9-(3,4-dimethoxyphenyl)-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 |
| SMILES | C12=C(C(C3=C(CC(CC3=O)(C)C)N2Cc2ccccc2)c2cc(c(cc2)OC)OC)C(=O)CC(C1)(C)C |
| Title of publication | Crystal structure of 10-benzyl-9-(3,4-dimethoxyphenyl)-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 | Sureshbabu, N.; Sughanya, V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | o688 - o689 |
| a | 10.7068 ± 0.0003 Å |
| b | 17.875 ± 0.0004 Å |
| c | 28.1694 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5391.2 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0793 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.0986 |
| Weighted residual factors for all reflections included in the refinement | 0.1191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241048.cif 2241048.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2241048.cif 2241048.hkl |
| 153698 | 2015-08-27 | cif/ hkl/ Adding structures of 2241048 via cif-deposit CGI script. |
2241048.cif 2241048.hkl |
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Users of the data should acknowledge the original authors of the
structural data.