Information card for entry 4029877

Structure parameters

• Formula: C28 H25 F3 N2 O2
• Calculated formula: C28 H25 F3 N2 O2
• Title of publication: Synthesis of Functionalized β-Lactams and Pyrrolidine-2,5-diones through a Metal-Free Sequential Ugi-4CR/Cyclization Reaction.
• Authors of publication: Ghabraie, Elmira; Balalaie, Saeed; Mehrparvar, Saber; Rominger, Frank
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 17
• Pages of publication: 7926 - 7934
• a: 10.7819 ± 0.0015 Å
• b: 11.2776 ± 0.0018 Å
• c: 12.123 ± 0.003 Å
• α: 114.81 ± 0.004°
• β: 97.625 ± 0.004°
• γ: 108.463 ± 0.003°
• Cell volume: 1207.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0609
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No