Information card for entry 7159256

Structure parameters

• Formula: C35 H27 Cl3 F4 N2 O6
• Calculated formula: C35 H26 Cl2.998 F4 N2 O6
• Title of publication: Synthesis of 1,2-diaminotruxinic δ-cyclobutanes by BF₃-controlled [2 + 2]-photocycloaddition of 5(4<i>H</i>)-oxazolones and stereoselective expansion of δ-cyclobutanes to give highly substituted pyrrolidine-2,5-dicarboxylates.
• Authors of publication: Sierra, Sonia; López, Rosa; Gómez-Bengoa, Enrique; Falvello, Larry R.; Urriolabeitia, Esteban P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 15
• Pages of publication: 3203 - 3213
• a: 9.4722 ± 0.0013 Å
• b: 10.4254 ± 0.0015 Å
• c: 18.483 ± 0.003 Å
• α: 99.183 ± 0.002°
• β: 93.99 ± 0.002°
• γ: 108.186 ± 0.002°
• Cell volume: 1697.9 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No