Information card for entry 7159255

Structure parameters

• Formula: C35 H30 Cl2 F2 N2 O6
• Calculated formula: C34 H28 F2 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: 9.6404 ± 0.0008 Å
• b: 10.1481 ± 0.0009 Å
• c: 17.4357 ± 0.0015 Å
• α: 96.554 ± 0.001°
• β: 96.045 ± 0.001°
• γ: 105.312 ± 0.001°
• Cell volume: 1618 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1289
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.2397
• Weighted residual factors for all reflections included in the refinement: 0.2648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No