Information card for entry 2237153

Structure parameters

• Chemical name: (2<i>E</i>,2'<i>E</i>)-1,1'-Bis(6-chloro-2-methyl-4-phenylquinolin-3- yl)-3,3'-(1,4-phenylene)diprop-2-en-1-one ethyl acetate disolvate
• Formula: C52 H46 Cl2 N2 O6
• Calculated formula: C52 H46 Cl2 N2 O6
• SMILES: Clc1ccc2c(c1)c(c1ccccc1)c(c(n2)C)C(=O)/C=C/c1ccc(cc1)/C=C/C(=O)c1c(C)nc2c(c1c1ccccc1)cc(cc2)Cl.CCOC(=O)C.CCOC(=O)C
• Title of publication: (2<i>E</i>,2'<i>E</i>)-1,1'-Bis(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3,3'-(1,4-phenylene)diprop-2-en-1-one ethyl acetate disolvate
• Authors of publication: Kedjadja, Allaoua; Merdes, Rachid; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o37 - o38
• a: 9.9851 ± 0.0003 Å
• b: 10.0086 ± 0.0002 Å
• c: 11.3676 ± 0.0003 Å
• α: 102.35 ± 0.001°
• β: 97.108 ± 0.001°
• γ: 95.29 ± 0.002°
• Cell volume: 1092.94 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes