Information card for entry 7152391

Structure parameters

• Formula: C26 H25 N3 O2
• Calculated formula: C26 H25 N3 O2
• SMILES: c1(ccccc1)N1C(c2ccc(C)cc2)C(C2=C(C1=O)CCO2)(CCC#N)CCC#N
• Title of publication: Multi-component anion relay cascade of 1-acetylcyclopropanecarboxamides, aldehydes and acrylonitrile: access to biscyanoethylated furo[3,2-c]pyridinones.
• Authors of publication: Lin, Shaoxia; Wei, Ying; Liang, Fushun; Zhao, Baozhong; Liu, Yanling; Liu, Pengjun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 23
• Pages of publication: 4571 - 4576
• a: 13.71 ± 0.005 Å
• b: 13.748 ± 0.005 Å
• c: 11.855 ± 0.005 Å
• α: 90 ± 0.005°
• β: 100.854 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2194.5 ± 1.5 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: 0.1189
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No