Information card for entry 7129140

Structure parameters

• Chemical name: (E)-N-Styrylphthalimide
• Formula: C16 H11 N O2
• Calculated formula: C16 H11 N O2
• SMILES: O=C1N(/C=C/c2ccccc2)C(=O)c2c1cccc2
• 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: 28.5959 ± 0.0019 Å
• b: 7.4128 ± 0.0005 Å
• c: 11.4628 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2429.8 ± 0.3 ų
• Cell temperature: 104.6 K
• Ambient diffraction temperature: 104.6 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No