Information card for entry 2215846

Structure parameters

• Chemical name: Tetrabutylammonium 5-(2-hydroxyphenyl)-1,3,4-oxadiazole-2-thiolate
• Formula: C24 H41 N3 O2 S
• Calculated formula: C24 H41 N3 O2 S
• Title of publication: Tetrabutylammonium 5-(2-hydroxyphenyl)-1,3,4-oxadiazole-2-thiolate
• Authors of publication: Singh, N. K.; Pandey, A. K.; Singh, M.; Bharty, M. K.; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4327 - o4327
• a: 16.6 ± 0.006 Å
• b: 13.228 ± 0.005 Å
• c: 23.957 ± 0.009 Å
• α: 90°
• β: 97.71 ± 0.006°
• γ: 90°
• Cell volume: 5213 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1503
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes