Information card for entry 7125775

Structure parameters

• Formula: C25 H23 Br N2 O3
• Calculated formula: C25 H23 Br N2 O3
• Title of publication: One-pot construction of functionalized aziridines and maleimides via a novel pseudo-Knoevenagel cascade reaction.
• Authors of publication: Lei, Jie; Song, Gui-Ting; He, Liu-Jun; Luo, Ya-Fei; Tang, Dian-Yong; Lin, Hui-Kuan; Frett, Brendan; Li, Hong-Yu; Chen, Zhong-Zhu; Xu, Zhi-Gang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 14
• Pages of publication: 2194 - 2197
• a: 10.532 ± 0.006 Å
• b: 9.624 ± 0.005 Å
• c: 43.85 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4445 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1915
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No