Information card for entry 2214987

Structure parameters

• Chemical name: (2<i>E</i>,2'<i>E</i>)-1,1'-Bis(4-chlorophenyl)-3,3'-(1,4-phenylene)diprop- 2-en-1-one
• Formula: C24 H16 Cl2 O2
• Calculated formula: C24 H16 Cl2 O2
• SMILES: O=C(c1ccc(cc1)Cl)/C=C/c1ccc(cc1)/C=C/C(=O)c1ccc(cc1)Cl
• Title of publication: (2<i>E</i>,2'<i>E</i>)-1,1'-Bis(4-chlorophenyl)-3,3'-(1,4-phenylene)diprop-2-en-1-one
• Authors of publication: Harrison, William T. A.; H. J. Ravindra; M. R. Suresh Kumar; S. M. Dharmaprakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3702 - o3702
• a: 22.9779 ± 0.0019 Å
• b: 7.0369 ± 0.0005 Å
• c: 5.8425 ± 0.0005 Å
• α: 90°
• β: 95.229 ± 0.003°
• γ: 90°
• Cell volume: 940.76 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0682
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.1999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes