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Information card for entry 2237766
Preview
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 |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2237766.html
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Users of the data should acknowledge the original authors of the
structural data.