Information card for entry 7235328

Structure parameters

• Formula: C16 H8 Br Cl F3 N O
• Calculated formula: C16 H8 Br Cl F3 N O
• Title of publication: Solar photo-thermochemical syntheses of 4-bromo-2,5-substituted oxazoles from N-arylethylamides
• Authors of publication: Dinda, Milan; Samanta, Supravat; Eringathodi, Suresh; Ghosh, Pushpito K.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 24
• Pages of publication: 12252
• a: 7.538 ± 0.004 Å
• b: 8.691 ± 0.005 Å
• c: 11.877 ± 0.007 Å
• α: 80.826 ± 0.009°
• β: 83.217 ± 0.009°
• γ: 73.581 ± 0.008°
• Cell volume: 734.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No