Information card for entry 4032175

Structure parameters

• Formula: C23 H14 Cl N O2
• Calculated formula: C23 H14 Cl N O2
• SMILES: c1(cc2c(cc1)c1c(c3ccccc3C1=O)n(c2=O)Cc1ccccc1)Cl
• Title of publication: Synthesis of Biologically Active Indenoisoquinoline Derivatives via a One-Pot Copper(II)-Catalyzed Tandem Reaction.
• Authors of publication: Huang, Chia-Yu; Kavala, Veerababurao; Kuo, Chun-Wei; Konala, Ashok; Yang, Tang-Hao; Yao, Ching-Fa
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 4
• Pages of publication: 1961 - 1968
• a: 19.969 ± 0.003 Å
• b: 12.545 ± 0.002 Å
• c: 14.105 ± 0.003 Å
• α: 90°
• β: 96.313 ± 0.004°
• γ: 90°
• Cell volume: 3512 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1427
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2668
• Weighted residual factors for all reflections included in the refinement: 0.3061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No