Information card for entry 1518428

Structure parameters

• Formula: C15 H11 Cl N2 O2
• Calculated formula: C15 H11 Cl N2 O2
• SMILES: Clc1cc(c2c3c([nH]c2C)cccc3)ccc1N(=O)=O
• Title of publication: KO(t)Bu-Mediated Aerobic Transition-Metal-Free Regioselective β-Arylation of Indoles: Synthesis of β-(2-/4-Nitroaryl)-indoles.
• Authors of publication: Kumar, Shailesh; Rathore, Vandana; Verma, Ajay; Prasad, Ch Durga; Kumar, Amit; Yadav, Abhimanyu; Jana, Sadhan; Sattar, Moh; Meenakshi, ?; Kumar, Sangit
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 1
• Pages of publication: 82 - 85
• a: 19.16 ± 0.002 Å
• b: 11.3942 ± 0.0014 Å
• c: 15.345 ± 0.003 Å
• α: 90°
• β: 126.612 ± 0.002°
• γ: 90°
• Cell volume: 2689 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No