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Information card for entry 2237356
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| Coordinates | 2237356.cif |
|---|---|
| Structure factors | 2237356.hkl |
| Original IUCr paper | HTML |
| Chemical name | 9-(3,4-Dimethoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione |
|---|---|
| Formula | C25 H31 N O4 |
| Calculated formula | C25 H31 N O4 |
| SMILES | COc1ccc(cc1OC)C1C2=C(NC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(C)C |
| Title of publication | 9-(3,4-Dimethoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione |
| Authors of publication | Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Patil, D. R.; Chandam, D. R.; Deshmukh, Madhukar B. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | o297 - o298 |
| a | 14.1607 ± 0.0006 Å |
| b | 15.3126 ± 0.001 Å |
| c | 21.1196 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4579.5 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0962 |
| Residual factor for significantly intense reflections | 0.0587 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.1272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181295 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/73. |
2237356.cif 2237356.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237356.cif 2237356.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2237356.cif 2237356.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237356.cif 2237356.hkl |
| 75371 | 2013-03-09 | cif/ Adding structures of 2237356 via cif-deposit CGI script. |
2237356.cif |
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