Information card for entry 7128659

Structure parameters

• Formula: C20 H14 Cl F2 N O2
• Calculated formula: C20 H14 Cl F2 N O2
• SMILES: Clc1ccc(C2=C3C(CC(F)(F)C(=O)N2)(C(=O)c2ccccc32)C)cc1
• Title of publication: Copper/silver <i>co</i>-mediated three-component bicyclization for accessing indeno[1,2-<i>c</i>]azepine-3,6-diones.
• Authors of publication: Wang, Shi-Chao; Liu, Peng-Yu; Chen, Yi-Xin; Shen, Zheng-Jia; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 64
• Pages of publication: 7966 - 7969
• a: 7.3289 ± 0.0006 Å
• b: 17.1125 ± 0.0016 Å
• c: 28.191 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3535.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1179
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No