Information card for entry 7152815

Structure parameters

• Formula: C28 H19 Cl N2 O3
• Calculated formula: C28 H19 Cl N2 O3
• SMILES: Clc1ccc(C2C(=C3N(CCN3)C3=C2C(=O)c2c(C3=O)cccc2)C(=O)c2ccccc2)cc1
• Title of publication: A new rapid multicomponent domino heteroannulation of heterocyclic ketene aminals: solvent-free regioselective synthesis of functionalized benzo[g]imidazo[1,2-a]quinolinediones.
• Authors of publication: Wen, Li-Rong; Sun, Qi-Chang; Zhang, Hai-Liang; Li, Ming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 781 - 786
• a: 9.592 ± 0.002 Å
• b: 10.08 ± 0.003 Å
• c: 11.857 ± 0.003 Å
• α: 89.893 ± 0.01°
• β: 76.026 ± 0.007°
• γ: 80.083 ± 0.008°
• Cell volume: 1094.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No