Information card for entry 2229066

Structure parameters

• Chemical name: (3<i>R</i>*,4<i>R</i>*)-1-(4-Chlorophenyl)-4-[2-hydroxy-3- (morpholinomethyl)phenyl]-3-phenoxyazetidin-2-one
• Formula: C26 H25 Cl N2 O4
• Calculated formula: C26 H25 Cl N2 O4
• SMILES: Clc1ccc(N2[C@H]([C@H](Oc3ccccc3)C2=O)c2c(O)c(ccc2)CN2CCOCC2)cc1.Clc1ccc(N2[C@@H]([C@@H](Oc3ccccc3)C2=O)c2c(O)c(ccc2)CN2CCOCC2)cc1
• Title of publication: (3<i>R</i>*,4<i>R</i>*)-1-(4-Chlorophenyl)-4-[2-hydroxy-3-(morpholinomethyl)phenyl]-3-phenoxyazetidin-2-one
• Authors of publication: Akkurt, Mehmet; Jarrahpour, Aliasghar; Sharghi, Hashem; Badrabady, Seid Ali Torabi; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o325
• a: 29.6418 ± 0.0018 Å
• b: 6.7166 ± 0.0003 Å
• c: 28.5708 ± 0.0015 Å
• α: 90°
• β: 123.043 ± 0.004°
• γ: 90°
• Cell volume: 4768.2 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2278
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes