Information card for entry 4037628

Structure parameters

• Formula: C91 H105.5 Cl1.5 N8 Si4
• Calculated formula: C91 H105.5 Cl1.5 N8 Si4
• Title of publication: U-Shaped Helical Azaarenes: Synthesis, Structures, and Properties.
• Authors of publication: Zhao, Kexiang; Long, Guankui; Liu, Wenbo; Li, Dong-Sheng; Gao, Weibo; Zhang, Qichun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 1
• Pages of publication: 291 - 295
• a: 12.6965 ± 0.0013 Å
• b: 17.3542 ± 0.0018 Å
• c: 19.577 ± 0.002 Å
• α: 78.42 ± 0.003°
• β: 87.087 ± 0.003°
• γ: 80.742 ± 0.003°
• Cell volume: 4169.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.191
• Residual factor for significantly intense reflections: 0.1222
• Weighted residual factors for significantly intense reflections: 0.3172
• Weighted residual factors for all reflections included in the refinement: 0.3785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No