Information card for entry 4517405

Structure parameters

• Formula: C25 H17 N O2
• Calculated formula: C25 H17 N O2
• SMILES: o1c(c(Nc2ccccc2)c2c1cccc2)C(=O)c1cc2c(cc1)cccc2
• Title of publication: Cs₂CO₃-Mediated Rapid Room-Temperature Synthesis of 3-Amino-2-aroyl Benzofurans and Their Copper-Catalyzed <i>N</i>-Arylation Reactions.
• Authors of publication: Panday, Anoop Kumar; Ali, Danish; Choudhury, Lokman H.
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 3646 - 3660
• a: 9.529 ± 0.002 Å
• b: 10.567 ± 0.003 Å
• c: 20.407 ± 0.005 Å
• α: 87.353 ± 0.007°
• β: 86.97 ± 0.007°
• γ: 63.261 ± 0.005°
• Cell volume: 1832 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.126
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.2239
• Weighted residual factors for all reflections included in the refinement: 0.2417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No