Information card for entry 7152802

Structure parameters

• Common name: (E)-1,2-diphenyl-1,2-bis(3-(trifluoromethyl)p
• Chemical name: (E)-1,2-diphenyl-1,2-bis(3-(trifluoromethyl)phenylselanyl)ethene
• Formula: C28 H18 F6 Se2
• Calculated formula: C28 H18 F6 Se2
• SMILES: c1(cc(C(F)(F)F)ccc1)[Se]/C(=C(\c1ccccc1)[Se]c1cc(ccc1)C(F)(F)F)c1ccccc1
• Title of publication: Bis-vinyl selenides obtained via iron(iii) catalyzed addition of PhSeSePh to alkynes: synthesis and antinociceptive activity.
• Authors of publication: Sartori, Glaubia; Neto, José S S; Pesarico, Ana Paula; Back, Davi F.; Nogueira, Cristina W.; Zeni, Gilson
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1199 - 1208
• a: 15.4735 ± 0.0009 Å
• b: 5.6 ± 0.0003 Å
• c: 16.5182 ± 0.001 Å
• α: 90°
• β: 117.181 ± 0.003°
• γ: 90°
• Cell volume: 1273.26 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.106
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No