Information card for entry 7131394

Structure parameters

• Formula: C17 H13 Cl O3
• Calculated formula: C17 H13 Cl O3
• Title of publication: Gold self-relay catalysis enabling annulative oxygenation of propargylic alcohols with O-nucleophiles.
• Authors of publication: Hao, Meng-Ying; Zhang, Yin; Lin, Na; Fu, Rong; Ji, Xiao-Shuang; Jiang, Bo; Tu, Shu-Jiang; Hao, Wen-Juan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 27
• Pages of publication: 4032 - 4035
• a: 10.43 ± 0.004 Å
• b: 7.357 ± 0.003 Å
• c: 19.066 ± 0.007 Å
• α: 90°
• β: 92.473 ± 0.005°
• γ: 90°
• Cell volume: 1461.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No