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Information card for entry 2019959
Preview
| Coordinates | 2019959.cif |
|---|---|
| Structure factors | 2019959.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-[2-(4-Chlorophenyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]benzo[<i>de</i>]isoquinoline-1,3-dione dimethyl sulfoxide monosolvate |
|---|---|
| Formula | C30 H25 Cl N2 O5 S |
| Calculated formula | C30 H25 Cl N2 O5 S |
| Title of publication | Crystal structure of 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]benzo[de]isoquinoline-1,3-dione dimethyl sulfoxide monosolvate |
| Authors of publication | Çelik, Ísmail; Akkurt, Mehmet; Jarrahpour, Aliasghar; Rad, Javad Ameri; Çelik, Ömer |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | o129 |
| a | 7.9925 ± 0.0003 Å |
| b | 12.1761 ± 0.0005 Å |
| c | 14.2313 ± 0.0006 Å |
| α | 93.549 ± 0.002° |
| β | 95.52 ± 0.002° |
| γ | 101.602 ± 0.002° |
| Cell volume | 1345.67 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0786 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.172 |
| Weighted residual factors for all reflections included in the refinement | 0.1907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181869 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019959.cif 2019959.hkl |
| 136884 | 2015-05-18 | cif/ hkl/ Adding structures of 2019959 via cif-deposit CGI script. |
2019959.cif 2019959.hkl |
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Users of the data should acknowledge the original authors of the
structural data.