Information card for entry 2231158

Structure parameters

• Chemical name: 3,5-Bis(4-methoxyphenyl)-4,5-dihydroisoxazole
• Formula: C17 H17 N O3
• Calculated formula: C17 H17 N O3
• SMILES: O1N=C(c2ccc(OC)cc2)CC1c1ccc(OC)cc1
• Title of publication: 3,5-Bis(4-methoxyphenyl)-4,5-dihydroisoxazole
• Authors of publication: Samshuddin, S.; Butcher, Ray J.; Akkurt, Mehmet; Narayana, B.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1975 - o1976
• a: 10.5071 ± 0.0007 Å
• b: 8.4023 ± 0.0005 Å
• c: 32.6662 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2883.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.1364
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes