Information card for entry 4037629

Structure parameters

• Formula: C78 H98 N4 Si4
• Calculated formula: C78 H98 N4 Si4
• SMILES: c12c(c3ccccc3c(c1nc1c(c3cc4c5c(ccc4cc3cc1)nc1c(c(c3ccccc3c1C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)n5)n2)C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C
• 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: 15.2399 ± 0.0007 Å
• b: 16.3922 ± 0.0009 Å
• c: 17.7725 ± 0.001 Å
• α: 101.974 ± 0.0018°
• β: 113.986 ± 0.0015°
• γ: 106.368 ± 0.0015°
• Cell volume: 3619.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.1012
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No