Information card for entry 2228991

Structure parameters

• Chemical name: 1-(4-Methoxyphenyl)-4-(3-nitrophenyl)-3-phenoxyazetidin-2-one
• Formula: C22 H18 N2 O5
• Calculated formula: C22 H18 N2 O5
• SMILES: O(c1ccc(N2[C@H]([C@@H](Oc3ccccc3)C2=O)c2cc(N(=O)=O)ccc2)cc1)C.O(c1ccc(N2[C@@H]([C@H](Oc3ccccc3)C2=O)c2cc(N(=O)=O)ccc2)cc1)C
• Title of publication: 1-(4-Methoxyphenyl)-4-(3-nitrophenyl)-3-phenoxyazetidin-2-one
• Authors of publication: Baktır, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Heiran, Roghaye
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o537 - o538
• a: 7.7934 ± 0.0004 Å
• b: 11.2813 ± 0.0003 Å
• c: 11.8818 ± 0.0002 Å
• α: 77.771 ± 0.004°
• β: 80.948 ± 0.005°
• γ: 71.052 ± 0.004°
• Cell volume: 961.18 ± 0.06 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.1328
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes