Information card for entry 7131313

Structure parameters

• Formula: C21 H21 N O4
• Calculated formula: C21 H21 N O4
• SMILES: N1(C(=O)[C@@](O)([C@]2(OC(=O)C[C@@H]12)C)c1ccccc1)c1cc(cc(c1)C)C.N1(C(=O)[C@](O)([C@@]2(OC(=O)C[C@H]12)C)c1ccccc1)c1cc(cc(c1)C)C
• Title of publication: Switchable multipath cascade cyclization to synthesize bicyclic lactams and succinimides <i>via</i> chemodivergent reaction.
• Authors of publication: Song, Yimei; Wu, Chaofei; Zhang, Jinhai; Zhang, Wenhai; Qin, Xin; Yang, Yixiao; Kang, Guowei; Jiang, Jun; Liu, Hongxin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 22
• Pages of publication: 3313 - 3316
• a: 11.569 ± 0.002 Å
• b: 14.57 ± 0.003 Å
• c: 20.867 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3517.3 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No