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Information card for entry 2237760
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| Coordinates | 2237760.cif |
|---|---|
| Structure factors | 2237760.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Methyl-2-phenyl-1-(pyrrolidin-1-yl)propan-1-one |
|---|---|
| Formula | C14 H19 N O |
| Calculated formula | C14 H19 N O |
| SMILES | O=C(C(c1ccccc1)(C)C)N1CCCC1 |
| Title of publication | 2-Methyl-2-phenyl-1-(pyrrolidin-1-yl)propan-1-one |
| Authors of publication | Ren, Dong-mei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | o773 |
| a | 8.233 ± 0.0016 Å |
| b | 12.534 ± 0.003 Å |
| c | 12.192 ± 0.002 Å |
| α | 90° |
| β | 97.96 ± 0.03° |
| γ | 90° |
| Cell volume | 1246 ± 0.4 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1159 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.1325 |
| Weighted residual factors for all reflections included in the refinement | 0.1521 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181299 (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 2/23/77. |
2237760.cif 2237760.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. |
2237760.cif 2237760.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237760.cif 2237760.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237760.cif 2237760.hkl |
| 86424 | 2013-07-11 | cif/ Adding structures of 2237760 via cif-deposit CGI script. |
2237760.cif |
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Users of the data should acknowledge the original authors of the
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