Information card for entry 7133810

Structure parameters

• Formula: C3.33 H2.83 N0.17 O0.33 S0.33
• Calculated formula: C3.33333 H2.83333 N0.166667 O0.333333 S0.333333
• Title of publication: Electron-donor-acceptor (EDA) complex-driven regioselective vicinal and oxidative geminal functionalization of alkynes.
• Authors of publication: Barik, Dinabandhu; Chakraborty, Nikita; Sahoo, Ashish K.; Dhara, Hirendra Nath; Patel, Bhisma K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 86
• Pages of publication: 12577 - 12580
• a: 11.753 ± 0.006 Å
• b: 8.71 ± 0.005 Å
• c: 17.811 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1823.3 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.266
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No