Information card for entry 7239380

Structure parameters

• Formula: C23 H17 N O3
• Calculated formula: C23 H17 N O3
• Title of publication: Palladium-catalysed regioselective aroylation and acetoxylation of 3,5-diarylisoxazole via ortho C‒H functionalisations
• Authors of publication: Banerjee, Arghya; Bera, Anupam; Santra, Sourav Kumar; Guin, Srimanta; Patel, Bhisma K.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 17
• Pages of publication: 8558
• a: 8.8993 ± 0.0011 Å
• b: 10.4759 ± 0.0013 Å
• c: 11.0032 ± 0.0014 Å
• α: 70.643 ± 0.007°
• β: 72.001 ± 0.005°
• γ: 73.148 ± 0.007°
• Cell volume: 900.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.198
• Residual factor for significantly intense reflections: 0.177
• Weighted residual factors for significantly intense reflections: 0.4251
• Weighted residual factors for all reflections included in the refinement: 0.4315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No