Information card for entry 7236206

Structure parameters

• Formula: C16 H8 S3
• Calculated formula: C16 H8 S3
• Title of publication: Controllable synthesis of conjugated thio-phenylethyne-based compounds with different chain lengths
• Authors of publication: Huang, Wei; Zhu, Haoyun; Huang, Yuli; Yang, Junwei; Wang, Weizhi
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 46
• Pages of publication: 40343
• a: 15.042 ± 0.005 Å
• b: 11.404 ± 0.004 Å
• c: 32.856 ± 0.01 Å
• α: 90°
• β: 95.094 ± 0.005°
• γ: 90°
• Cell volume: 5614 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1181
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.198
• Weighted residual factors for all reflections included in the refinement: 0.2094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No