Information card for entry 1516703

Structure parameters

• Formula: C16 H12 N2 O3
• Calculated formula: C16 H12 N2 O3
• SMILES: O=C1n2c3ccccc3cc2C2(N1OC)C=CC(=O)C=C2
• Title of publication: Rh(III)-Catalyzed Selective Coupling of N-Methoxy-1H-indole-1-carboxamides and Aryl Boronic Acids.
• Authors of publication: Zheng, Jing; Zhang, Yan; Cui, Sunliang
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 13
• Pages of publication: 3560 - 3563
• a: 9.8869 ± 0.0009 Å
• b: 8.4979 ± 0.0007 Å
• c: 17.1534 ± 0.0017 Å
• α: 90°
• β: 103.026 ± 0.011°
• γ: 90°
• Cell volume: 1404.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No