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Information card for entry 2237766
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| Coordinates | 2237766.cif |
|---|---|
| Structure factors | 2237766.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>tert</i>-Butyl 4-{5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl}piperazine-1-carboxylate |
|---|---|
| Formula | C18 H21 F3 N4 O4 |
| Calculated formula | C18 H21 F3 N4 O4 |
| SMILES | O=C(N1CCN(CC1)c1noc(n1)c1cccc(c1)OC(F)(F)F)OC(C)(C)C |
| Title of publication | <i>tert</i>-Butyl 4-{5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl}piperazine-1-carboxylate |
| Authors of publication | Sreenivasa, Swamy; ManojKumar, Karikere Ekanna; Kempaiah, Arakyathanahalli; Suchetan, Parameshwar Adimoole; Palakshamurthy, Bandrehalli Siddagangaiah |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | o761 |
| a | 5.773 ± 0.002 Å |
| b | 11.168 ± 0.005 Å |
| c | 15.991 ± 0.007 Å |
| α | 96.092 ± 0.016° |
| β | 100.316 ± 0.014° |
| γ | 91.333 ± 0.014° |
| Cell volume | 1007.6 ± 0.7 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0944 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.1887 |
| Weighted residual factors for all reflections included in the refinement | 0.2066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2237766.cif 2237766.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. |
2237766.cif 2237766.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. |
2237766.cif 2237766.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237766.cif 2237766.hkl |
| 86430 | 2013-07-11 | cif/ Adding structures of 2237766 via cif-deposit CGI script. |
2237766.cif |
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Users of the data should acknowledge the original authors of the
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