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Information card for entry 2230223
Preview
| Coordinates | 2230223.cif |
|---|---|
| Structure factors | 2230223.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Ethyl 3-methyl-2,6-diphenylpiperidine-1-carboxylate |
|---|---|
| Formula | C21 H25 N O2 |
| Calculated formula | C21 H25 N O2 |
| SMILES | O=C(OCC)N1[C@H](CC[C@@H]([C@H]1c1ccccc1)C)c1ccccc1.O=C(OCC)N1[C@@H](CC[C@H]([C@@H]1c1ccccc1)C)c1ccccc1 |
| Title of publication | Ethyl 3-methyl-2,6-diphenylpiperidine-1-carboxylate |
| Authors of publication | Natarajan, Sampath; Mathews, Rita |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | o1530 |
| a | 10.4113 ± 0.0003 Å |
| b | 10.6073 ± 0.0006 Å |
| c | 16.2782 ± 0.0006 Å |
| α | 90° |
| β | 95.96 ± 0.002° |
| γ | 90° |
| Cell volume | 1787.98 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0721 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1181 |
| Weighted residual factors for all reflections included in the refinement | 0.1362 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2230223.cif 2230223.hkl |
| 181224 | 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 2/23/02. |
2230223.cif 2230223.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. |
2230223.cif 2230223.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230223.cif 2230223.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. | 2230223.cif 2230223.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230223.cif 2230223.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230223.cif 2230223.hkl |
| 22191 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230223 via cif-deposit CGI script. |
2230223.cif |
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Users of the data should acknowledge the original authors of the
structural data.