Information card for entry 7159254

Structure parameters

• Formula: C37.5 H33 Cl7 N2 O6
• Calculated formula: C37.5 H27 Cl7 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: 18.0917 ± 0.0006 Å
• b: 12.0597 ± 0.0005 Å
• c: 35.4251 ± 0.001 Å
• α: 90°
• β: 91.256 ± 0.003°
• γ: 90°
• Cell volume: 7727.2 ± 0.5 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No