Information card for entry 7131796

Structure parameters

• Formula: C30 H31 N3 O5
• Calculated formula: C30 H31 N3 O5
• SMILES: O=C1N(C(=O)[C@](NC(=O)c2ccccc2)([C@H]1NC(=O)OC(C)(C)C)Cc1ccccc1)Cc1ccccc1
• Title of publication: Asymmetric [3+2]-cyclization of α-imino amide surrogates to construct 3,4-diaminopyrrolidine-2,5-diones.
• Authors of publication: Ruan, Peiran; Zhang, Cefei; Wu, Jin; Xiao, Fengnan; Zhang, Yongyan; Tan, Qingfa; Su, Zhishan; Feng, Xiaoming; Liu, Xiaohua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 53
• Pages of publication: 8250 - 8253
• a: 11.3754 ± 0.0003 Å
• b: 21.9762 ± 0.0006 Å
• c: 11.2116 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2802.77 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No