Information card for entry 4035820

Structure parameters

• Common name: iodo chlorophenyl phenylselenophene
• Chemical name: 3-iodo-4-(4-chlorophenyl)-2-phenylselenophene
• Formula: C16 H10 Cl I Se
• Calculated formula: C16 H10 Cl I Se
• SMILES: Ic1c([se]cc1c1ccc(Cl)cc1)c1ccccc1
• Title of publication: Electrophilic Cyclization Involving Carbon-Selenium/Carbon-Halide Bond Formation: Synthesis of 3-Substituted Selenophenes.
• Authors of publication: Casola, Kamila Kaiser; Gomes, Matheus Rick; Back, Davi Fernando; Zeni, Gilson
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 12
• Pages of publication: 6706 - 6718
• a: 15.4095 ± 0.001 Å
• b: 90.764 ± 0.006 Å
• c: 4.2446 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5936.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No