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Information card for entry 1542452
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| Coordinates | 1542452.cif |
|---|---|
| Structure factors | 1542452.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-<i>N</i>-[Cyclopentyl(morpholin-4-yl)methylidene]-4-fluorobenzenesulfonamide |
|---|---|
| Formula | C16 H21 F N2 O3 S |
| Calculated formula | C16 H21 F N2 O3 S |
| SMILES | S(=O)(=O)(/N=C(N1CCOCC1)\C1CCCC1)c1ccc(F)cc1 |
| Title of publication | (<i>E</i>)-<i>N</i>-[Cyclopentyl(morpholin-4-yl)methylidene]-4-fluorobenzenesulfonamide |
| Authors of publication | Efimov, Ilya; Slepukhin, Pavel; Beliaev, Nikolai; Bakulev, Vasiliy |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 1 |
| Pages of publication | x160013 |
| a | 11.5613 ± 0.0007 Å |
| b | 16.4245 ± 0.0013 Å |
| c | 8.873 ± 0.0006 Å |
| α | 90° |
| β | 107.768 ± 0.006° |
| γ | 90° |
| Cell volume | 1604.5 ± 0.2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0778 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.1167 |
| Weighted residual factors for all reflections included in the refinement | 0.1371 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542452.cif 1542452.hkl |
| 177499 | 2016-03-04 | cif/ Updating files of 1542452 Original log message: Adding full bibliography for 1542452.cif. |
1542452.cif 1542452.hkl |
| 176753 | 2016-02-19 | cif/1/54/ Fixing paper titles for structures from IUCrData journal. |
1542452.cif 1542452.hkl |
| 176508 | 2016-02-17 | cif/ hkl/ Adding structures of 1542452 via cif-deposit CGI script. |
1542452.cif 1542452.hkl |
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