Information card for entry 4105647

Structure parameters

• Formula: C29 H25 N O2
• Calculated formula: C29 H25 N O2
• SMILES: c1(ccccc1)/C=C/C=C1/C2=C(CCO2)C(=O)N(C1c1ccc(C)cc1)c1ccccc1
• Title of publication: Aza-Oxy-Carbanion Relay via Non-Brook Rearrangement: Efficient Synthesis of Furo[3,2-c]pyridinones
• Authors of publication: Fushun Liang; Shaoxia Lin; Ying Wei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 1781 - 1783
• a: 13.619 ± 0.002 Å
• b: 11.3289 ± 0.0016 Å
• c: 15.146 ± 0.003 Å
• α: 90°
• β: 101.77 ± 0.015°
• γ: 90°
• Cell volume: 2287.7 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1826
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 0.591
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No