Information card for entry 2210438

Structure parameters

• Chemical name: 5-(4-Fluoro-3-phenoxyphenyl)-3-phenyl-4,5-dihydroisoxazole
• Formula: C21 H16 F N O2
• Calculated formula: C21 H16 F N O2
• SMILES: N1OC(c2ccc(F)c(Oc3ccccc3)c2)CC=1c1ccccc1
• Title of publication: 5-(4-Fluoro-3-phenoxyphenyl)-3-phenyl-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: 9
• Pages of publication: o3819 - o3820
• a: 33.31 ± 0.02 Å
• b: 8.84 ± 0.006 Å
• c: 5.749 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1692.9 ± 1.9 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.321
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes