Information card for entry 1504886

Structure parameters

• Formula: C21 H19 N O3
• Calculated formula: C21 H19 N O3
• SMILES: O=C(N(c1ccccc1)c1ccc(Oc2ccccc2OC)cc1)C
• Title of publication: Copper-catalyzed one-pot multicomponent coupling reaction of phenols, amides, and 4-bromphenyl iodide.
• Authors of publication: Chen, Wenming; Li, Jianjun; Fang, Dongmei; Feng, Chun; Zhang, Chenggang
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 20
• Pages of publication: 4565 - 4568
• a: 6.152 ± 0.004 Å
• b: 11.728 ± 0.004 Å
• c: 12.367 ± 0.004 Å
• α: 91.34 ± 0.03°
• β: 93.22 ± 0.04°
• γ: 102.61 ± 0.03°
• Cell volume: 868.8 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0613
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No