Information card for entry 2210036

Structure parameters

• Chemical name: 5-(4-Fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydroisoxazole
• Formula: C22 H18 F N O2
• Calculated formula: C22 H18 F N O2
• SMILES: O(c1ccccc1)c1c(F)ccc(c1)C1ON=C(C1)c1ccc(cc1)C
• Title of publication: 5-(4-Fluoro-3-phenoxyphenyl)-3-(4-methylphenyl)-4,5-dihydroisoxazole
• Authors of publication: Chopra, Deepak; Mohan, T. P.; Vishalakshi, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3547 - o3548
• a: 10.565 ± 0.007 Å
• b: 8.274 ± 0.006 Å
• c: 41.17 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3599 ± 4 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.152
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.322
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No