Information card for entry 4032737

Structure parameters

• Formula: C89 H66 Cl2 N8 O4
• Calculated formula: C89 H66 Cl2 N8 O4
• Title of publication: Synthesis of Benzopyridoindolone Derivatives via a One-Pot Copper Catalyzed Tandem Reaction of 2-Iodobenzamide Derivatives and 2-Iodobenzylcyanides.
• Authors of publication: Kavala, Veerababurao; Yang, Zonghan; Konala, Ashok; Huang, Chia-Yu; Kuo, Chun-Wei; Yao, Ching-Fa
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 14
• Pages of publication: 7280 - 7286
• a: 32.034 ± 0.0017 Å
• b: 12.9944 ± 0.0008 Å
• c: 20.1345 ± 0.0011 Å
• α: 90°
• β: 124.023 ± 0.001°
• γ: 90°
• Cell volume: 6946.5 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No