Information card for entry 4034119

Structure parameters

• Formula: C56.5 H45 Cl N4 O6
• Calculated formula: C56.5 H45 Cl N4 O6
• Title of publication: Cascade [1,5]-Hydride Transfer/Cyclization for Synthesis of [3,4]-Fused Oxindoles.
• Authors of publication: Zhu, Shuai; Chen, Chunqi; Duan, Kang; Sun, Yun-Ming; Li, Shuai-Shuai; Liu, Qing; Xiao, Jian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 13
• Pages of publication: 8440 - 8448
• a: 53.283 ± 0.002 Å
• b: 7.945 ± 0.0002 Å
• c: 20.8497 ± 0.0007 Å
• α: 90°
• β: 91.672 ± 0.004°
• γ: 90°
• Cell volume: 8822.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.2203
• Weighted residual factors for all reflections included in the refinement: 0.2434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No