Information card for entry 7135879

Structure parameters

• Chemical name: 2-(anthracen-9-yl)-9H-thioxanthen-9-one (TX-AN)
• Formula: C27 H16 O S
• Calculated formula: C27 H16 O S
• Title of publication: Pressure-Induced Emission Enhancement in 2-(anthracen-9-yl)-9Hthioxanthen-9-one Crystals with π-π Stacked Thioxanthone Dimers
• Authors of publication: Wang, Ming; Yang, Daojie; Lv, Yonghui; Liu, Haichao; Wang, Kai; Dai, Yuxiang
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 30.9 ± 0.004 Å
• b: 7.5662 ± 0.0009 Å
• c: 18.161 ± 0.002 Å
• α: 90°
• β: 114.09 ± 0.009°
• γ: 90°
• Cell volume: 3876.2 ± 0.8 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No