Information card for entry 7216784

Structure parameters

• Formula: C20 H25 F N3 O4
• Calculated formula: C20 H25 F N3 O4
• SMILES: Fc1ccc(cc1)C(=O)C1=C2NCCCN2C(=O)C1CC(=O)NCC.OCC
• Title of publication: Catalyst-free cascade reaction of heterocyclic ketene aminals with N-substituted maleimide to synthesise bicyclic pyrrolidinone derivatives
• Authors of publication: Liu, Jin; Zhang, Hai-Rui; Lin, Xin-Rong; Yan, Sheng-Jiao; Lin, Jun
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 52
• Pages of publication: 27582
• a: 8.9553 ± 0.0013 Å
• b: 9.957 ± 0.0014 Å
• c: 12.2938 ± 0.0017 Å
• α: 107.762 ± 0.002°
• β: 97.915 ± 0.002°
• γ: 98.959 ± 0.002°
• Cell volume: 1011 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.2002
• Weighted residual factors for all reflections included in the refinement: 0.2346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No