Information card for entry 7129868

Structure parameters

• Formula: C196 H209 N3 O6
• Calculated formula: C196 H209 N3 O6
• Title of publication: π-Expanded triple [5]helicenes bearing dibenzocoronene monoimide subunits.
• Authors of publication: Chen, Yan; Zhou, Ruihu; Liu, Xinyue; Yang, Cao; Wang, Tingting; Shi, Fenghui; Zhang, Lei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 29
• Pages of publication: 4671 - 4674
• a: 10.2309 ± 0.0001 Å
• b: 30.6709 ± 0.0002 Å
• c: 32.1621 ± 0.0003 Å
• α: 81.021 ± 0.001°
• β: 83.878 ± 0.001°
• γ: 87.77 ± 0.001°
• Cell volume: 9909.1 ± 0.15 ų
• Cell temperature: 169.99 ± 0.13 K
• Ambient diffraction temperature: 169.99 ± 0.13 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: 0.1092
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.2517
• Weighted residual factors for all reflections included in the refinement: 0.2668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.871
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No