Information card for entry 4519103

Structure parameters

• Formula: C40 H28 Br8 Cl4 O4
• Calculated formula: C40 H28 Br8 Cl4 O4
• Title of publication: Selenium Dioxide-Mediated Bromination of α,β-Unsaturated Ketones Using <i>N</i>-Bromosuccinimide in the Presence of <i>p</i>-Toluenesulfonic Acid: A Versatile Route for the Synthesis of α'-Bromo-4-arylbut-3-en-2-one and α',α'-Dibromo-4-arylbut-3-en-2-one.
• Authors of publication: Lipon, Tyrchain Mitre; Marpna, Ibakyntiew D.; Wanniang, Kmendashisha; Shangpliang, O. Risuklang; Laloo, Badaker M.; Nongkhlaw, Rishanlang; Myrboh, Bekington
• Journal of publication: ACS omega
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 41
• Pages of publication: 27466 - 27477
• a: 19.939 ± 0.005 Å
• b: 7.058 ± 0.003 Å
• c: 8.04 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1131.5 ± 0.7 ų
• Cell temperature: 291.6 ± 0.3 K
• Ambient diffraction temperature: 291.6 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1899
• Residual factor for significantly intense reflections: 0.1168
• Weighted residual factors for significantly intense reflections: 0.2487
• Weighted residual factors for all reflections included in the refinement: 0.294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No