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Information card for entry 2240413
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| Coordinates | 2240413.cif |
|---|---|
| Structure factors | 2240413.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>N</i>-<i>tert</i>-Butyl-3-(4-fluorophenyl)-5-oxo-4-[2-(trifluoromethoxy)phenyl]-2,5-dihydrofuran-2-carboxamide |
|---|---|
| Formula | C22 H19 F4 N O4 |
| Calculated formula | C22 H19 F4 N O4 |
| SMILES | Fc1ccc(C2=C(C(=O)OC2C(=O)NC(C)(C)C)c2ccccc2OC(F)(F)F)cc1 |
| Title of publication | Crystal structures of <i>N</i>-<i>tert</i>-butyl-3-(4-fluorophenyl)-5-oxo-4-[2-(trifluoromethoxy)phenyl]-2,5-dihydrofuran-2-carboxamide and 4-(2<i>H</i>-1,3-benzodioxol-5-yl)-<i>N</i>-cyclohexyl-5-oxo-3-[4-(trifluoromethyl)phenyl]-2,5-dihydrofuran-2-carboxamide |
| Authors of publication | Roberts, Sue A.; Martinez-Ariza, Guillermo; Hulme, Christopher |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | 199 - 202 |
| a | 8.0173 ± 0.0008 Å |
| b | 24.9 ± 0.002 Å |
| c | 10.2186 ± 0.0009 Å |
| α | 90° |
| β | 96.738 ± 0.002° |
| γ | 90° |
| Cell volume | 2025.9 ± 0.3 Å3 |
| Cell temperature | 99.99 K |
| Ambient diffraction temperature | 99.99 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 | 0.0383 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Weighted residual factors for all reflections included in the refinement | 0.0839 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181904 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/04 |
2240413.cif 2240413.hkl |
| 181324 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/04. |
2240413.cif 2240413.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240413.cif 2240413.hkl |
| 130101 | 2015-01-25 | cif/ hkl/ Adding structures of 2240413, 2240414 via cif-deposit CGI script. |
2240413.cif 2240413.hkl |
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