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Information card for entry 2236205
Preview
| Coordinates | 2236205.cif |
|---|---|
| Structure factors | 2236205.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 10-Benzyl-9-(4-ethoxyphenyl)-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 O3 |
| Calculated formula | C32 H37 N O3 |
| SMILES | C1(CC2=C(C(=O)C1)C(C1=C(CC(CC1=O)(C)C)N2Cc1ccccc1)c1ccc(cc1)OCC)(C)C |
| Title of publication | 10-Benzyl-9-(4-ethoxyphenyl)-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 | Sughanya, V.; Sureshbabu, N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 9 |
| Pages of publication | o2755 |
| a | 16.8172 ± 0.0007 Å |
| b | 15.7033 ± 0.0007 Å |
| c | 19.908 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5257.4 ± 0.4 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 | 0.0732 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1085 |
| Weighted residual factors for all reflections included in the refinement | 0.1275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2236205.cif 2236205.hkl |
| 181284 | 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 2/23/62. |
2236205.cif 2236205.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. |
2236205.cif 2236205.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236205.cif 2236205.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. | 2236205.cif 2236205.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236205.cif 2236205.hkl |
| 69774 | 2012-12-21 | cif/ Adding structures of 2236205 via cif-deposit CGI script. |
2236205.cif |
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Users of the data should acknowledge the original authors of the
structural data.