Information card for entry 1574791

Structure parameters

• Formula: C28 H27 N O2 Si
• Calculated formula: C28 H27 N O2 Si
• Title of publication: Intramolecular asymmetric propargylation of esters and imides: C-H functionalisation enables stereocontrolled access to UCS1025A.
• Authors of publication: Corcoran, James C.; Zhu, Jin; Semenick, Mason A.; Welser, Anna L.; Wang, Yi-Ming
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 28
• Pages of publication: 12879 - 12884
• a: 7.4981 ± 0.0005 Å
• b: 16.7375 ± 0.0012 Å
• c: 18.9431 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2377.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No