Information card for entry 7128261

Structure parameters

• Formula: C101 H70 Cl2 N16 S8
• Calculated formula: C101 H70 Cl2 N16 S8
• Title of publication: X-shaped thiadiazole-containing double [7]heterohelicene with strong chiroptical response and π-stacked homochiral assembly.
• Authors of publication: Hong, Juan; Xiao, Xuxian; Liu, Haoliang; Fu, Lin; Wang, Xin-Chang; Zhou, Long; Wang, Xiao-Ye; Qiu, Zijie; Cao, Xiao-Yu; Narita, Akimitsu; Müllen, Klaus; Hu, Yunbin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 45
• Pages of publication: 5566 - 5569
• a: 15.056 ± 0.003 Å
• b: 16.373 ± 0.003 Å
• c: 19.923 ± 0.004 Å
• α: 94.827 ± 0.014°
• β: 107.933 ± 0.012°
• γ: 94.992 ± 0.013°
• Cell volume: 4622.9 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.2487
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.2147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No