Information card for entry 2014394

Structure parameters

• Chemical name: 1,5-Bis(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)pentane-1,5-dione
• Formula: C26 H18 Cl3 N O2
• Calculated formula: C26 H18 Cl3 N O2
• SMILES: Clc1ccc(cc1)C(=O)CC(CC(=O)c1ccc(Cl)cc1)c1c(Cl)nc2c(c1)cccc2
• Title of publication: 1,5-Bis(4-chlorophenyl)-3-(2-chloroquinolin-3-yl)pentane-1,5-dione: sheets of <i>R</i>~4~^4^(26) rings built from C—H···N and C—H···O hydrogen bonds
• Authors of publication: Insuasty, Braulio; Torres, Harlen; Cobo, Justo; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o39 - o41
• a: 11.2405 ± 0.0002 Å
• b: 18.8738 ± 0.0003 Å
• c: 21.0529 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4466.39 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0624
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes