Information card for entry 7713308

Structure parameters

• Formula: C40 H54 B2 S2
• Calculated formula: C40 H54 B2 S2
• Title of publication: Highly luminescent antiaromatic diborinines with fused thiophene rings.
• Authors of publication: Adachi, Yohei; Hasegawa, Takumi; Ohshita, Joji
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 21.5021 ± 0.001 Å
• b: 8.8031 ± 0.0003 Å
• c: 19.8376 ± 0.0006 Å
• α: 90°
• β: 93.833 ± 0.004°
• γ: 90°
• Cell volume: 3746.6 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.14
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No