Information card for entry 4037224

Structure parameters

• Formula: C20 H22 Cl N2 O2
• Calculated formula: C20 H22 Cl N2 O2
• Title of publication: Synthesis of Unsymmetrical Diaryl Acetamides, Benzofurans, Benzophenones, and Xanthenes by Transition-Metal-Free Oxidative Cross-Coupling of sp³ and sp² C-H Bonds.
• Authors of publication: Rathore, Vandana; Sattar, Moh; Kumar, Raushan; Kumar, Sangit
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 19
• Pages of publication: 9206 - 9218
• a: 8.5362 ± 0.0007 Å
• b: 16.2261 ± 0.0012 Å
• c: 14.2507 ± 0.0012 Å
• α: 90°
• β: 90.684 ± 0.003°
• γ: 90°
• Cell volume: 1973.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1895
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No