Information card for entry 1575418

Structure parameters

• Formula: C24.4 H14 Br0.4 F4.8 P0.8 S2
• Calculated formula: C24.4 H14 Br0.4 F4.8 P0.8 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: 13.5317 ± 0.0002 Å
• b: 13.9267 ± 0.0002 Å
• c: 14.6385 ± 0.0003 Å
• α: 70.766 ± 0.002°
• β: 85.742 ± 0.001°
• γ: 79.027 ± 0.001°
• Cell volume: 2556.85 ± 0.08 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: 0.0594
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No