Information card for entry 1575835

Structure parameters

• Formula: C20 H19 N S
• Calculated formula: C20 H19 N S
• Title of publication: Cu-catalyzed enantioconvergent deborylative alkynylation.
• Authors of publication: Head, Joshua F.; Schubert, Tanner J.; Zhao, Biyu; Dong, Yuyang
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 43
• Pages of publication: 20382 - 20388
• a: 5.6964 ± 0.0017 Å
• b: 8.141 ± 0.003 Å
• c: 17.53 ± 0.005 Å
• α: 90°
• β: 95.008 ± 0.009°
• γ: 90°
• Cell volume: 809.8 ± 0.4 ų
• Cell temperature: 118.67 K
• Ambient diffraction temperature: 118.67 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1173
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No