Information card for entry 7131314

Structure parameters

• Formula: C21 H21 N O4
• Calculated formula: C21 H21 N O4
• SMILES: N1(c2cc(cc(C)c2)C)C(=O)[C@H]2[C@](O[C@@](O)(C2)C)(C1=O)c1ccccc1.N1(c2cc(cc(C)c2)C)C(=O)[C@@H]2[C@@](O[C@](O)(C2)C)(C1=O)c1ccccc1
• 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: 8.5695 ± 0.0013 Å
• b: 9.9711 ± 0.0013 Å
• c: 11.4136 ± 0.0017 Å
• α: 80.396 ± 0.002°
• β: 88.581 ± 0.002°
• γ: 72.582 ± 0.002°
• Cell volume: 917.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No