Information card for entry 7107058

Structure parameters

• Formula: C14 H14 Cl N O4
• Calculated formula: C14 H14 Cl N O4
• SMILES: c1(c(cccc1)Cl)CNC1=C(C(=O)CO1)CCOC=O
• Title of publication: Halonium-initiated electrophilic cascades of 1-alkenoylcyclopropane carboxamides: efficient access to dihydrofuropyridinones and 3(2H)-furanones
• Authors of publication: Ying Wei; Shaoxia Lin; Juan Zhang; Zaihai Niu; Qiang Fu; Fushun Liang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 12394
• a: 4.67 ± 0.003 Å
• b: 24.712 ± 0.003 Å
• c: 12.388 ± 0.003 Å
• α: 90°
• β: 91.024 ± 0.003°
• γ: 90°
• Cell volume: 1429.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No