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Information card for entry 2019843
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| Coordinates | 2019843.cif |
|---|---|
| Structure factors | 2019843.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-Acetophenone <i>O</i>-diphenylphosphoryl oxime |
|---|---|
| Formula | C20 H18 N O2 P |
| Calculated formula | C20 H18 N O2 P |
| SMILES | P(=O)(O/N=C(C)/c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis and crystal structure of a novel prochiral ketoimine: (E)-acetophenoneO-diphenylphosphoryl oxime |
| Authors of publication | Majer, Sean H.; Tanski, Joseph M. |
| Journal of publication | Acta Crystallographica Section C Structural Chemistry |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| a | 18.035 ± 0.002 Å |
| b | 5.9874 ± 0.0007 Å |
| c | 16.236 ± 0.002 Å |
| α | 90° |
| β | 105.133 ± 0.003° |
| γ | 90° |
| Cell volume | 1692.4 ± 0.3 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0343 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0909 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019843.cif 2019843.hkl |
| 180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019843.cif 2019843.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019843.cif 2019843.hkl |
| 131295 | 2015-02-07 | cif/ hkl/ Adding structures of 2019843 via cif-deposit CGI script. |
2019843.cif 2019843.hkl |
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Users of the data should acknowledge the original authors of the
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