Information card for entry 7233602

Structure parameters

• Formula: C38 H24 S2
• Calculated formula: C38 H24 S2
• Title of publication: Rubrene analogues with the aggregation-induced emission enhancement behaviour
• Authors of publication: Xiaotao Zhang; Jakob K. Sorensen; Xiaolong Fu; Yonggang Zhen; Guangyao Zhao; Lang Jiang; Huanli Dong; Jie Liu; Zhigang Shuai; Hua Geng; Thomas Bjornholm; Wenping Hu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 884 - 890
• a: 10.173 ± 0.002 Å
• b: 8.9148 ± 0.0018 Å
• c: 14.751 ± 0.003 Å
• α: 90°
• β: 95.17 ± 0.03°
• γ: 90°
• Cell volume: 1332.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0712
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No