Information card for entry 4037947

Structure parameters

• Formula: C20 H15 Br N2 O2
• Calculated formula: C20 H15 Br N2 O2
• SMILES: Brc1ccc(N2C(=O)ON(C2c2ccccc2)c2ccccc2)cc1
• Title of publication: Silver-Assisted [3 + 2] Annulation of Nitrones with Isocyanides: Synthesis of 2,3,4-Trisubstituted 1,2,4-Oxadiazolidin-5-ones.
• Authors of publication: Shen, Xuanyu; Shatskiy, Andrey; Chen, Yan; Kärkäs, Markus D; Wang, Xiang-Shan; Liu, Jian-Quan
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 17.9016 ± 0.0014 Å
• b: 6.3035 ± 0.0005 Å
• c: 17.9016 ± 0.0014 Å
• α: 90°
• β: 119.03°
• γ: 90°
• Cell volume: 1766.3 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No