Information card for entry 7239335

Structure parameters

• Formula: C13 H10 Br2 O4 S2
• Calculated formula: C13 H10 Br2 O4 S2
• Title of publication: Synthesis and investigation of novel thiophene derivatives containing heteroatom linkers for solid state polymerization
• Authors of publication: Tusy, Chuong; Huang, Lili; Jin, Jingpeng; Xia, Jiangbin
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 16
• Pages of publication: 8011
• a: 12.665 ± 0.003 Å
• b: 8.8588 ± 0.0019 Å
• c: 14.424 ± 0.003 Å
• α: 90°
• β: 110.803 ± 0.003°
• γ: 90°
• Cell volume: 1512.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1002
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No