Information card for entry 2237741

Structure parameters

• Chemical name: 5-(3-Methoxyphenyl)-3-phenyl-1,2-oxazole
• Formula: C16 H13 N O2
• Calculated formula: C16 H13 N O2
• SMILES: c1ccccc1c1cc(c2cccc(c2)OC)on1
• Title of publication: 5-(3-Methoxyphenyl)-3-phenyl-1,2-oxazole
• Authors of publication: Balakrishnan, B.; Praveen, C.; Seshadri, P. R.; Perumal, P. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o597
• a: 7.909 ± 0.002 Å
• b: 27.239 ± 0.008 Å
• c: 5.9652 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1285.1 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.053
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes