Information card for entry 7129141

Structure parameters

• Chemical name: (Z)-(5-(2-bromobenzylidene))-(E,E)-1,3-distyrylhydantoin
• Formula: C26 H19 Br N2 O2
• Calculated formula: C26 H19 Br N2 O2
• SMILES: Brc1ccccc1/C=C1\N(/C=C/c2ccccc2)C(=O)N(C1=O)/C=C/c1ccccc1
• Title of publication: Cu-catalyzed C(sp2)-N-bond coupling of boronic acids and cyclic imides
• Authors of publication: Berntsen, Linn Neerbye; Nordbø Solvi, Thomas; Sørnes, Kristian; Wragg, David S.; Sandtorv, Alexander Harald H.
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 9.2065 ± 0.0011 Å
• b: 10.37 ± 0.0013 Å
• c: 12.059 ± 0.0015 Å
• α: 77.804 ± 0.003°
• β: 72.89 ± 0.003°
• γ: 73.581 ± 0.003°
• Cell volume: 1045.1 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No