Information card for entry 2203859

Structure parameters

• Formula: C16 H15 N O5
• Calculated formula: C16 H15 N O5
• SMILES: N1(C(=O)[C@@H]([C@@H]1c1ccco1)OC(=O)C)c1ccc(OC)cc1
• Title of publication: (3<i>R</i>,4<i>S</i>)-<i>cis</i>-3-Acetoxy-1-(4-methoxyphenyl)-4-(2-furanyl)azetidin-2-one
• Authors of publication: Anand, Naveen; Koul, Surrinder; Taneja, Subhash C.; Qazi, Ghulam N.; Spiteller, Michael; Sheldrick, William S.; van Almsick, Tobias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1215 - o1216
• a: 5.459 ± 0.003 Å
• b: 8.011 ± 0.003 Å
• c: 17.205 ± 0.005 Å
• α: 90°
• β: 96 ± 0.03°
• γ: 90°
• Cell volume: 748.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes