Information card for entry 4519102

Structure parameters

• Formula: C40 H32 Br4 N4 O12
• Calculated formula: C40 H32 Br4 N4 O12
• 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: 11.0125 ± 0.0016 Å
• b: 6.523 ± 0.0011 Å
• c: 14.3222 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1028.8 ± 0.2 ų
• Cell temperature: 290.69 ± 0.16 K
• Ambient diffraction temperature: 290.69 ± 0.16 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: 0.1376
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No