Information card for entry 4034291

Structure parameters

• Formula: C84 H69 Au4 B F4 N O0.5 P4
• Calculated formula: C84 H69 Au4 B F4 N O0.5 P4
• Title of publication: Bonded to Carbon or Nitrogen? This is a Question on the Regioselectivity in Hyperconjugative Aromaticity.
• Authors of publication: Sun, Tingting; Guo, Ping; Xie, Qiong; Zhao, Liang; Zhu, Jun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 7
• Pages of publication: 3881 - 3886
• a: 21.8602 ± 0.0002 Å
• b: 17.8588 ± 0.0002 Å
• c: 39.6592 ± 0.0004 Å
• α: 90°
• β: 99.619 ± 0.001°
• γ: 90°
• Cell volume: 15265.2 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No