Information card for entry 1553173

Structure parameters

• Formula: C26 H23 Cl F7 N O
• Calculated formula: C26 H23 Cl F7 N O
• Title of publication: Palladium-catalyzed methylene C(sp3)‒H arylation of the adamantyl scaffold
• Authors of publication: Lao, Ye-Xing; Wu, Jia-Qiang; Chen, Yunyun; Zhang, Shang-Shi; Li, Qingjiang; Wang, Honggen
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 1374
• a: 12.89225 ± 0.00014 Å
• b: 15.11065 ± 0.00014 Å
• c: 24.8076 ± 0.0003 Å
• α: 90°
• β: 101.997 ± 0.001°
• γ: 90°
• Cell volume: 4727.22 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No