Information card for entry 1555883

Structure parameters

• Formula: C14 H13 N O4
• Calculated formula: C14 H13 N O4
• SMILES: O(C1=CC(=O)C2(O1)c1c(N(C2=O)C)cccc1)CC
• Title of publication: Chiral Aryliodine-Mediated Enantioselective Organocatalytic Spirocyclization: Synthesis of Spirofurooxindoles via Cascade Oxidative C-O and C-C Bond Formation.
• Authors of publication: Cao, Yang; Zhang, Xiang; Lin, Guangyu; Zhang-Negrerie, Daisy; Du, Yunfei
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 21
• Pages of publication: 5580 - 5583
• a: 9.625 ± 0.003 Å
• b: 16.95 ± 0.005 Å
• c: 8.295 ± 0.003 Å
• α: 90°
• β: 114.355 ± 0.006°
• γ: 90°
• Cell volume: 1232.8 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0757
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.253
• Weighted residual factors for all reflections included in the refinement: 0.2627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No