Information card for entry 1511887

Structure parameters

• Formula: C20 H19 N O3
• Calculated formula: C20 H19 N O3
• SMILES: o1c(c2ccccc2)cnc1c1ccccc1C(=O)OC(C)(C)C
• Title of publication: Ag- and Au-Catalyzed Addition of Alcohols to Ynimides: β-Regioselective Carbonylation and Production of Oxazoles
• Authors of publication: Sueda, Takuya; Kawada, Arisa; Urashi, Yumi; Teno, Naoki
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 1560
• a: 13.727 ± 0.005 Å
• b: 16.832 ± 0.006 Å
• c: 7.474 ± 0.003 Å
• α: 90°
• β: 95.94 ± 0.02°
• γ: 90°
• Cell volume: 1717.6 ± 1.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No