Information card for entry 1577027

Structure parameters

• Formula: C28 H23 B O2 S2
• Calculated formula: C28 H23 B O2 S2
• Title of publication: Significant decrease in the ionization energy of dinaphtho[2,3-<i>b</i>:2',3'-<i>f</i>]thieno[3,2-<i>b</i>]thiophene (DNTT) solid induced by a pinacolborane group.
• Authors of publication: Takimiya, Kazuo; Usui, Sayaka; Hanaki, Ryota; Bulgarevich, Kirill; Kawabata, Kohsuke; Nakano, Kyohei; Tajima, Keisuke
• Journal of publication: Materials horizons
• Year of publication: 2026
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 3117 - 3126
• a: 25.0771 ± 0.0019 Å
• b: 7.6507 ± 0.0004 Å
• c: 12.2423 ± 0.0005 Å
• α: 90°
• β: 93.709 ± 0.005°
• γ: 90°
• Cell volume: 2343.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.2166
• Weighted residual factors for all reflections included in the refinement: 0.2493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No