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Information card for entry 2240078
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| Coordinates | 2240078.cif |
|---|---|
| Structure factors | 2240078.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,6-Bis(2,5-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one |
|---|---|
| Formula | C23 H29 N O5 |
| Calculated formula | C23 H29 N O5 |
| SMILES | [C@@H]1([C@@H](C(=O)[C@@H]([C@@H](c2c(ccc(c2)OC)OC)N1)C)C)c1cc(ccc1OC)OC |
| Title of publication | Crystal structure of 2,6-bis(2,5-dimethoxyphenyl)-3,5-dimethylpiperidin-4-one |
| Authors of publication | Park, Dong Ho; Ramkumar, V.; Parthiban, P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | o1160 |
| a | 11.1358 ± 0.0007 Å |
| b | 9.4756 ± 0.0005 Å |
| c | 20.4541 ± 0.0011 Å |
| α | 90° |
| β | 92.271 ± 0.002° |
| γ | 90° |
| Cell volume | 2156.6 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0819 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.1163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181900 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240078.cif 2240078.hkl |
| 181320 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/00. |
2240078.cif 2240078.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240078.cif 2240078.hkl |
| 125438 | 2014-10-16 | cif/ hkl/ Adding structures of 2240078 via cif-deposit CGI script. |
2240078.cif 2240078.hkl |
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Users of the data should acknowledge the original authors of the
structural data.