Information card for entry 7159234

Structure parameters

• Formula: C24 H18 N2 O8
• Calculated formula: C24 H18 N2 O8
• SMILES: O=N(=O)c1ccccc1[C@@H]1N(C(=O)C(=O)[C@@]1(C(=O)OC)c1cc(O)c(O)cc1)c1ccccc1.O=N(=O)c1ccccc1[C@H]1N(C(=O)C(=O)[C@]1(C(=O)OC)c1cc(O)c(O)cc1)c1ccccc1
• Title of publication: Biocatalytic stereoselective synthesis of pyrrolidine-2,3-diones containing all-carbon quaternary stereocenters.
• Authors of publication: Shahedi, Mansour; Omidi, Niloofar; Habibi, Zohreh; Yousefi, Maryam; Brask, Jesper; Notash, Behrouz; Mohammadi, Mehdi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 13
• Pages of publication: 2742 - 2747
• a: 29.297 ± 0.006 Å
• b: 8.32 ± 0.0017 Å
• c: 18.92 ± 0.004 Å
• α: 90°
• β: 115.25 ± 0.03°
• γ: 90°
• Cell volume: 4171.1 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No