Information card for entry 4038343

Structure parameters

• Common name: bromomethyl chlorobenzo selenophen chlorophenyl methanone
• Chemical name: (3-(bromomethyl)-6-chlorobenzo[b]selenophen-2-yl)(4-chlorophenyl)methanone
• Formula: C16 H9 Br Cl2 O Se
• Calculated formula: C16 H9 Br Cl2 O Se
• Title of publication: Synthesis of Selenochromenes via Dehydration of Arylalkynols Promoted by Iron(III) Chloride and Diorganyl Diselenides.
• Authors of publication: Casola, Kamila Kayser; Gomes, Matheus Rick; Back, Davi F.; Zeni, Gilson
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 16.0762 ± 0.0007 Å
• b: 4.1491 ± 0.0002 Å
• c: 23.3019 ± 0.0011 Å
• α: 90°
• β: 95.784 ± 0.002°
• γ: 90°
• Cell volume: 1546.36 ± 0.12 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No