Information card for entry 2229067

Structure parameters

• Chemical name: 1-(4-Methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one
• Formula: C23 H21 N O3
• Calculated formula: C23 H21 N O3
• SMILES: O(c1ccccc1)[C@@H]1C(=O)N([C@@H]1c1ccc(cc1)C)c1ccc(OC)cc1.O(c1ccccc1)[C@H]1C(=O)N([C@H]1c1ccc(cc1)C)c1ccc(OC)cc1
• Title of publication: 1-(4-Methoxyphenyl)-4-(4-methylphenyl)-3-phenoxyazetidin-2-one
• Authors of publication: Akkurt, Mehmet; Dağdemir, Yılmaz; Jarrahpour, Aliasghar; Rostami, Maryam; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o326 - o327
• a: 6.0764 ± 0.0003 Å
• b: 9.9545 ± 0.0005 Å
• c: 16.4519 ± 0.001 Å
• α: 104.36 ± 0.004°
• β: 91.261 ± 0.005°
• γ: 97.724 ± 0.004°
• Cell volume: 953.71 ± 0.09 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0807
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes