Information card for entry 7054372

Structure parameters

• Common name: MDBTS
• Formula: C8.5 H5.5 S Si0.5
• Calculated formula: C8.5 H6 S Si0.5
• Title of publication: Easily-soluble heteroacene bis(benzothieno)silole derivatives for sensing of nitro explosives
• Authors of publication: Zhao, Yunfang; Hao, Wanglong; Ma, Wangjing; Zang, Zhanzhan; Zhang, Huarong; Liu, Xiaoxia; Zou, Sufen; Zhang, Haixia; Liu, Weichao; Gao, Jianhua
• Journal of publication: New J. Chem.
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 12
• Pages of publication: 5754
• a: 15.5429 ± 0.0017 Å
• b: 13.1602 ± 0.0015 Å
• c: 7.4458 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1523 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No