Information card for entry 7123652

Structure parameters

• Formula: C30 H26 Br N3 O6
• Calculated formula: C30 H26 Br N3 O6
• Title of publication: N-Heterocyclic Carbene-Catalyzed β-Addition of Enals to 3-Alkylenyloxindoles: Synthesis of Oxindoles with All-Carbon Quaternary Stereocenters
• Authors of publication: Zhang, Chun-Lin; Han, You-Feng; Ye, Song
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.0778 ± 0.0001 Å
• b: 9.4396 ± 0.0001 Å
• c: 13.2738 ± 0.0001 Å
• α: 90°
• β: 110.964 ± 0.001°
• γ: 90°
• Cell volume: 1413.17 ± 0.02 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No