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Information card for entry 2240407
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| Coordinates | 2240407.cif |
|---|---|
| Structure factors | 2240407.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2-Chloro-1-(3-ethyl-2,6-diphenylpiperidin-1-yl)ethanone |
|---|---|
| Formula | C21 H24 Cl N O |
| Calculated formula | C21 H24 Cl N O |
| SMILES | C(=O)(CCl)N1[C@H](c2ccccc2)CC[C@H]([C@@H]1c1ccccc1)CC.C(=O)(CCl)N1[C@@H](c2ccccc2)CC[C@@H]([C@H]1c1ccccc1)CC |
| Title of publication | Crystal structure of 2-chloro-1-(3-ethyl-2,6-diphenylpiperidin-1-yl)ethanone |
| Authors of publication | Shreevidhyaa Suressh, V.; Revathi, B. K.; Abdul Basheer, S.; Ponnuswamy, S.; Usha, G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | o122 |
| a | 8.5971 ± 0.0009 Å |
| b | 12.908 ± 0.0013 Å |
| c | 17.1114 ± 0.0016 Å |
| α | 90° |
| β | 100.501 ± 0.005° |
| γ | 90° |
| Cell volume | 1867.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0953 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for significantly intense reflections | 0.1945 |
| Weighted residual factors for all reflections included in the refinement | 0.2256 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240407.cif 2240407.hkl |
| 181324 | 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 2/24/04. |
2240407.cif 2240407.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. |
2240407.cif 2240407.hkl |
| 130067 | 2015-01-23 | cif/ hkl/ Adding structures of 2240407 via cif-deposit CGI script. |
2240407.cif 2240407.hkl |
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Users of the data should acknowledge the original authors of the
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