Information card for entry 7226880

Structure parameters

• Formula: C16 H18 N2 O3
• Calculated formula: C16 H18 N2 O3
• SMILES: N12CCNC2=C(CC(C1=O)C)C(=O)c1ccc(OC)cc1
• Title of publication: Synthesis of bicyclic 2-pyridones by regioselective annulations of heterocyclic ketene aminals with anhydride
• Authors of publication: Liu, Jin; Yan, Sheng-Jiao; Cao, Zheng-Mao; Cui, Shi-Sheng; Lin, Jun
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.3821 ± 0.0012 Å
• b: 9.844 ± 0.0017 Å
• c: 10.9083 ± 0.0018 Å
• α: 94.965 ± 0.002°
• β: 103.154 ± 0.002°
• γ: 109.687 ± 0.002°
• Cell volume: 715.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No