Information card for entry 7107057

Structure parameters

• Formula: C21 H17 N O4
• Calculated formula: C21 H17 N O4
• SMILES: c1c(c2c(CCO2)c(=O)n1Cc1ccccc1)c1ccc2c(c1)OCO2
• 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: 19.023 ± 0.005 Å
• b: 8.279 ± 0.005 Å
• c: 11.214 ± 0.005 Å
• α: 90°
• β: 103.913 ± 0.005°
• γ: 90°
• Cell volume: 1714.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1663
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No