Information card for entry 7232911

Structure parameters

• Chemical name: 2-(anthracen-9-yl)thianthrene
• Formula: C26 H16 S2
• Calculated formula: C26 H16 S2
• Title of publication: Unusual Temperature-Sensitive Excimer Fluorescence from Discrete π-π Dimer Stacking of Anthracene in a Crystal
• Authors of publication: Shen, Yue; Liu, Haichao; Cao, Jungang; Zhang, Shitong; Li, Weijun; Yang, Bing
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2019
• a: 16.8912 ± 0.0005 Å
• b: 11.897 ± 0.0005 Å
• c: 19.6308 ± 0.0007 Å
• α: 90°
• β: 104.361 ± 0.002°
• γ: 90°
• Cell volume: 3821.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.043
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No