Information card for entry 1575419

Structure parameters

• Formula: C26 H15.33 Cl1.33 O2.67 S2
• Calculated formula: C26 H15.3333 Cl1.33333 O2.66667 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: 10.5374 ± 0.0002 Å
• b: 10.58339 ± 0.00018 Å
• c: 15.829 ± 0.0003 Å
• α: 101.905 ± 0.0016°
• β: 107.322 ± 0.0019°
• γ: 101.385 ± 0.0016°
• Cell volume: 1584.41 ± 0.06 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.0964
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2427
• Weighted residual factors for all reflections included in the refinement: 0.2568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No