Information card for entry 7131152

Structure parameters

• Formula: C38.5 H30 Cl F6 N3 O4 S4
• Calculated formula: C38.5 H30 Cl F6 N3 O4 S4
• Title of publication: A double-helical S,C-bridged tetraphenyl-<i>para</i>-phenylenediamine and its persistent radical cation.
• Authors of publication: Harada, Kaho; Hasegawa, Chika; Matsumoto, Taisuke; Sugishita, Hiroki; Kitamura, Chitoshi; Higashibayashi, Shuhei; Hasegawa, Masashi; Suzuki, Shuichi; Kato, Shin-Ichiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 10
• Pages of publication: 1301 - 1304
• a: 31.1922 ± 0.0015 Å
• b: 9.4751 ± 0.0003 Å
• c: 28.2134 ± 0.0013 Å
• α: 90°
• β: 116.638 ± 0.006°
• γ: 90°
• Cell volume: 7453.4 ± 0.7 ų
• Cell temperature: 100.06 ± 0.1 K
• Ambient diffraction temperature: 100.06 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.073
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No