Information card for entry 2217812

Structure parameters

• Chemical name: Ethyl 4-(3-bromo-2-thienyl)-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
• Formula: C19 H17 Br O3 S
• Calculated formula: C19 H17 Br O3 S
• Title of publication: Ethyl 4-(3-bromo-2-thienyl)-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
• Authors of publication: Fischer, Andreas; Yathirajan, H. S.; Ashalatha, B. V.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o560
• a: 8.8925 ± 0.0008 Å
• b: 11.713 ± 0.002 Å
• c: 16.853 ± 0.002 Å
• α: 94.317 ± 0.011°
• β: 98.436 ± 0.01°
• γ: 90.235 ± 0.013°
• Cell volume: 1731.2 ± 0.4 ų
• Cell temperature: 130 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: 0.0662
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No