Information card for entry 2237766

Structure parameters

• 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 ų
• 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