Information card for entry 2213674

Structure parameters

• Chemical name: (3<i>S</i>,4<i>R</i>)-4-[4-(Benzyloxy)phenyl]-3-(4-fluorophenyl)-1-\ [(<i>S</i>)-1-(4-methoxyphenyl)ethyl]azetidin-2-one
• Formula: C31 H28 F N O3
• Calculated formula: C31 H28 F N O3
• SMILES: COc1ccc([C@H](C)N2[C@@H](c3ccc(OCc4ccccc4)cc3)[C@@H](C2=O)c2ccc(F)cc2)cc1
• Title of publication: (3<i>S</i>,4<i>R</i>)-4-[4-(Benzyloxy)phenyl]-3-(4-fluorophenyl)-1-[(<i>S</i>)-1-(4-methoxyphenyl)ethyl]azetidin-2-one
• Authors of publication: Wu, Jin-Chang; Sun, Jing-Bo; Xu, Xian-Xiu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2844 - o2845
• a: 5.9709 ± 0.0012 Å
• b: 14.377 ± 0.003 Å
• c: 14.905 ± 0.003 Å
• α: 90°
• β: 92.64 ± 0.03°
• γ: 90°
• Cell volume: 1278.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes