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Information card for entry 2237197
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| Coordinates | 2237197.cif |
|---|---|
| Structure factors | 2237197.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,2,7,7-Tetramethyl-1,2,3,4,5,6,7,8-octahydroacridine-1,8-dione |
|---|---|
| Formula | C17 H21 N O2 |
| Calculated formula | C17 H21 N O2 |
| SMILES | c12CCC(C(=O)c1cc1c(n2)CCC(C1=O)(C)C)(C)C |
| Title of publication | 2,2,7,7-Tetramethyl-1,2,3,4,5,6,7,8-octahydroacridine-1,8-dione |
| Authors of publication | Öztürk Yildirim, Sema; Butcher, Ray J.; Şimsek, Rahime; El-Khouly, Ahmed; Şafak, Cihat |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | o88 - o89 |
| a | 9.99077 ± 0.00019 Å |
| b | 9.99077 ± 0.00019 Å |
| c | 14.5063 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1447.95 ± 0.06 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 95 |
| Hermann-Mauguin space group symbol | P 43 2 2 |
| Hall space group symbol | P 4cw 2c |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.116 |
| Weighted residual factors for all reflections included in the refinement | 0.1219 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181293 (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 2/23/71. |
2237197.cif 2237197.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. |
2237197.cif 2237197.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237197.cif 2237197.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. | 2237197.cif 2237197.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237197.cif 2237197.hkl |
| 73418 | 2013-02-20 | cif/ Adding structures of 2237197 via cif-deposit CGI script. |
2237197.cif |
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Users of the data should acknowledge the original authors of the
structural data.