Information card for entry 7159269

Structure parameters

• Formula: C32 H34 N2 O3 S
• Calculated formula: C32 H34 N2 O3 S
• Title of publication: Catalytic aminomethylative etherification of <i>N</i>-allenamides with <i>N</i>,<i>O</i>-acetals enabled by Lewis/Brønsted acid catalysis.
• Authors of publication: Zhang, Tao; Ji, Danqing; Sun, Jiangtao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 16
• Pages of publication: 3340 - 3344
• a: 9.8161 ± 0.0005 Å
• b: 17.3216 ± 0.001 Å
• c: 16.6079 ± 0.001 Å
• α: 90°
• β: 92.516 ± 0.002°
• γ: 90°
• Cell volume: 2821.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No