Information card for entry 8106501

Structure parameters

• Formula: C10 H6 Br2 O4 S2
• Calculated formula: C10 H6 Br2 O4 S2
• Title of publication: Crystal structure of 1,1,(3,4-dihydroxythieno[2,3-b] thiophene-2,5-diyl)bis(2-bromoethanone), C10H6Br2O4S2
• Authors of publication: Mabkhot, Yahia N.; Al-aizari, Faiz A.; Al-Showiman, Salim; Barakat, Assem; Ghabbour, Hazem A.; Frey, Wolfgang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 2
• Pages of publication: 255 - 256
• a: 8.1199 ± 0.0006 Å
• b: 10.443 ± 0.0008 Å
• c: 15.4252 ± 0.0013 Å
• α: 90°
• β: 96.309 ± 0.003°
• γ: 90°
• Cell volume: 1300.08 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0748
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No