Information card for entry 7129142

Structure parameters

• Chemical name: N-(1,1-cyclopentenyl)phthalimide
• Formula: C13 H11 N O2
• Calculated formula: C13 H11 N O2
• SMILES: O=C1N(C2=CCCC2)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: 11.9019 ± 0.0013 Å
• b: 11.447 ± 0.0013 Å
• c: 7.4837 ± 0.0008 Å
• α: 90°
• β: 101.078 ± 0.003°
• γ: 90°
• Cell volume: 1000.59 ± 0.19 ų
• Cell temperature: 103.7 K
• Ambient diffraction temperature: 103.7 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No