Information card for entry 4038475

Structure parameters

• Formula: C19 H11 Br N4 O3
• Calculated formula: C19 H11 Br N4 O3
• Title of publication: Umpolung Strategy for the Synthesis of Chiral Dispiro[2-amino-4,5-dihydrofuran-3-carbonitrile]bisoxindoles
• Authors of publication: Chen, Li-Jun; Yu, Jin-Hang; He, Bin; Xie, Jian-Wu; Liu, Yuan-Xiu; Zhu, Wei-Dong
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2020
• a: 9.362 ± 0.002 Å
• b: 29.313 ± 0.007 Å
• c: 16.189 ± 0.003 Å
• α: 90°
• β: 115.546 ± 0.011°
• γ: 90°
• Cell volume: 4008.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0964
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 3.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No