Information card for entry 7157053

Structure parameters

• Formula: C30 H28 Br N3 O3
• Calculated formula: C30 H28 Br N3 O3
• Title of publication: Enantioselective construction of 3-substituted 3-amino-2-oxindoles containing an N,N-ketal skeleton via organocatalyzed aza-addition of isatin imines.
• Authors of publication: Zhang, Chen; Shang, Xinye; Cheng, Yuyu; Li, Fushuai; Zhao, Hanhui; Li, Pengfei; Li, Wenjun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 36
• Pages of publication: 8374 - 8378
• a: 9.7016 ± 0.0006 Å
• b: 11.8988 ± 0.0007 Å
• c: 12.2186 ± 0.0007 Å
• α: 65.813 ± 0.002°
• β: 85.063 ± 0.002°
• γ: 89.505 ± 0.002°
• Cell volume: 1281.34 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No