Information card for entry 7120693

Structure parameters

• Chemical name: (5-chloro-1-picolinoyl-1H-indol-3-yl)(phenyl)methyl acetate
• Formula: C23 H17 Cl N2 O3
• Calculated formula: C23 H17 Cl N2 O3
• SMILES: Clc1ccc2n(cc(c2c1)C(OC(=O)C)c1ccccc1)C(=O)c1ncccc1
• Title of publication: Palladium-Catalyzed Oxidative Arylacetoxylation of Alkenes: Synthesis of Indole and Indoline Derivatives
• Authors of publication: Karnakanti, Shuklachary; Zang, Zhong-Lin; Zhao, Sheng; Shao, Pan-Lin; Hu, Ping; He, Yun
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 9.6917 ± 0.001 Å
• b: 7.5033 ± 0.0007 Å
• c: 27.151 ± 0.002 Å
• α: 90°
• β: 93.018 ± 0.008°
• γ: 90°
• Cell volume: 1971.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• 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: 0.0949
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No