Information card for entry 2243150

Structure parameters

• Chemical name: (2<i>E</i>,2'<i>E</i>)-1,1'-[Selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one]
• Formula: C30 H20 Cl2 O2 Se
• Calculated formula: C30 H20 Cl2 O2 Se
• SMILES: [Se](c1ccc(cc1)C(=O)/C=C/c1ccc(Cl)cc1)c1ccc(cc1)C(=O)/C=C/c1ccc(Cl)cc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of (2<i>E</i>,2'<i>E</i>)-1,1'-[selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one]
• Authors of publication: Bouraoui, Hazem; Mechehoud, Youcef; Chetioui, Souheyla; Touzani, Rachid; Medjani, Meriem; Benmilat, Ahmed; Boudjada, Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• Pages of publication: 1724 - 1728
• a: 4.9468 ± 0.0003 Å
• b: 5.8712 ± 0.0006 Å
• c: 21.353 ± 0.0018 Å
• α: 85.019 ± 0.008°
• β: 84.094 ± 0.006°
• γ: 86.465 ± 0.007°
• Cell volume: 613.68 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No