Information card for entry 7160209

Structure parameters

• Formula: C17 H10 Cl N O2
• Calculated formula: C17 H10 Cl N O2
• Title of publication: Novel electron donor-acceptor (EDA) complex promoted arylation of 2-oxo-2<i>H</i>-chromene-3-carbonitriles under visible light irradiation.
• Authors of publication: Sahoo, Tanmoy; Prasanna, Dasari Vijaya; Sridhar, B.; Subba Reddy, B. V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 48
• Pages of publication: 9408 - 9412
• a: 10.719 ± 0.002 Å
• b: 6.7143 ± 0.0018 Å
• c: 19.67 ± 0.005 Å
• α: 90°
• β: 99.99 ± 0.01°
• γ: 90°
• Cell volume: 1394.2 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0837
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No