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Information card for entry 7203394
Preview
| Coordinates | 7203394.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,8-dioxo-3, 3-dimethyl-9-(4-Chloro-phenyl)- 1,2,3,4,5,6,7,8,9,10-decahydroacridine |
|---|---|
| Formula | C21 H22 Cl N O2 |
| Calculated formula | C21 H22 Cl N O2 |
| SMILES | Clc1ccc(C2C3=C(NC4=C2C(=O)CCC4)CC(CC3=O)(C)C)cc1 |
| Title of publication | Environmentally benign one-pot multi-component approaches to the synthesis of novel unsymmetrical 4-arylacridinediones |
| Authors of publication | Wang, Guan-Wu; Miao, Chun-Bao |
| Journal of publication | Green Chemistry |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 12 |
| Pages of publication | 1080 |
| a | 7.1209 ± 0.0008 Å |
| b | 16.3999 ± 0.0019 Å |
| c | 15.0997 ± 0.0016 Å |
| α | 90° |
| β | 92.716 ± 0.004° |
| γ | 90° |
| Cell volume | 1761.4 ± 0.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0454 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.0986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7203394.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203394.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203394.cif |
| 11752 | 2011-02-18 | cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script. |
7203394.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7203394.cif |
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Users of the data should acknowledge the original authors of the
structural data.