Information card for entry 7130985

Structure parameters

• Chemical name: '(3,6-bis(3-bromophenyl)thieno[3,4-b]thiophene-2,4-diyl)bis ((3-bromophenyl)methanone)'
• Formula: C32 H16 Br4 O2 S2
• Calculated formula: C32 H16 Br4 O2 S2
• Title of publication: Direct access to thieno[3,4-b]thiophenes via elemental sulfur-promoted sulfurative tetramerization of acetophenones
• Authors of publication: Nguyen, Thanh Binh; Retailleau, Pascal
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.96 ± 0.0009 Å
• b: 15.6784 ± 0.0009 Å
• c: 15.0197 ± 0.0009 Å
• α: 90°
• β: 110.769 ± 0.007°
• γ: 90°
• Cell volume: 2853.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0836
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No