Information card for entry 1568309

Structure parameters

• Chemical name: 1
• Formula: C46 H54 F6 O6
• Calculated formula: C46 H54 F6 O6
• Title of publication: Ni-catalyzed arylation of alkynes with organoboronic acids and aldehydes to access stereodefined allylic alcohols.
• Authors of publication: Tao, Si-Chen; Meng, Fan-Cheng; Wang, Tie; Zheng, Yan-Long
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2040 - 2045
• a: 12.5957 ± 0.0003 Å
• b: 13.0422 ± 0.0004 Å
• c: 15.109 ± 0.0005 Å
• α: 84.924 ± 0.003°
• β: 76.057 ± 0.002°
• γ: 69.976 ± 0.002°
• Cell volume: 2263.24 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2964
• Weighted residual factors for all reflections included in the refinement: 0.3349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No