Information card for entry 1575421

Structure parameters

• Formula: C26 H15.33 Cl0.67 F4 P0.67 S2
• Calculated formula: C26 H15.3333 Cl0.666667 F4 P0.666667 S2
• Title of publication: Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties
• Authors of publication: Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 38
• Pages of publication: 6333 - 6340
• a: 10.5204 ± 0.0003 Å
• b: 10.7353 ± 0.0002 Å
• c: 15.743 ± 0.0005 Å
• α: 103.036 ± 0.002°
• β: 105.912 ± 0.003°
• γ: 102.613 ± 0.002°
• Cell volume: 1589.57 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No