Information card for entry 4032811

Structure parameters

• Formula: C27 H23 N O2
• Calculated formula: C27 H23 N O2
• SMILES: O=C(Nc1ccccc1O)c1c(c2ccc(cc2)C)cccc1c1ccc(cc1)C
• Title of publication: Multicomponent Synthesis of Diverse o-Arylated Benzamides via o-Aminophenol (OAP) Directed C(sp(2))-H Arylation.
• Authors of publication: Liu, Yunyun; Zhang, Yi; Wan, Jie-Ping
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 17
• Pages of publication: 8950 - 8957
• a: 10.181 ± 0.002 Å
• b: 11.283 ± 0.002 Å
• c: 18.953 ± 0.004 Å
• α: 90°
• β: 99.67 ± 0.03°
• γ: 90°
• Cell volume: 2146.2 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No