Information card for entry 4025906

Structure parameters

• Formula: C15 H15 N O5
• Calculated formula: C15 H15 N O5
• SMILES: N(=O)(=O)[C@@H]1OC2=C([C@H]1c1ccc(OC)cc1)C(=O)CCC2.N(=O)(=O)[C@H]1OC2=C([C@@H]1c1ccc(OC)cc1)C(=O)CCC2
• Title of publication: Facile Domino Access to Chiral Mono-, Bi-, and Tricyclic 2,3-Dihydrofurans
• Authors of publication: Li-Ping Fan; Ping Li; Xin-Sheng Li; Dong-Cheng Xu; Meng-Meng Ge; Wei-Dong Zhu; Jian-Wu Xie
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 8716 - 8719
• a: 22.0833 ± 0.001 Å
• b: 7.095 ± 0.0003 Å
• c: 20.918 ± 0.001 Å
• α: 90°
• β: 119.36 ± 0.006°
• γ: 90°
• Cell volume: 2856.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No