Information card for entry 7157648

Structure parameters

• Formula: C20 H15 N O3
• Calculated formula: C20 H15 N O3
• SMILES: O=C1N(C2=C(C(=O)c3c(C2=O)cccc3)C1(C)C)c1ccccc1
• Title of publication: Cu-Catalysed synthesis of benzo[f]indole-2,4,9(3H)-triones by the reaction of 2-amino-1,4-napthoquinones with α-bromocarboxylates.
• Authors of publication: Yang, Fazhou; Liu, Ziyan; Liu, Hao; Shangguan, Yu; Deng, Hao; Huang, Jiaxing; Xiao, Yumei; Guo, Hongchao; Zhang, Cheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 34
• Pages of publication: 6724 - 6731
• a: 13.5094 ± 0.0016 Å
• b: 11.092 ± 0.0009 Å
• c: 21.2668 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3186.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No