Information card for entry 4029946

Structure parameters

• Formula: C26 H36 Br2 O6 S2
• Calculated formula: C26 H36 Br2 O6 S2
• Title of publication: Synthesis and Electronic Properties of Oxidized Benzo[1,2-b:4,5-b']dithiophenes.
• Authors of publication: Pappenfus, Ted M.; Seidenkranz, Daniel T.; Lovander, Matthew D.; Beck, Travis L.; Karels, Brandon J.; Ogawa, Katsu; Janzen, Daron E.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 19
• Pages of publication: 9408 - 9412
• a: 8.0141 ± 0.0013 Å
• b: 25.471 ± 0.005 Å
• c: 7.4012 ± 0.0012 Å
• α: 90°
• β: 99.659 ± 0.007°
• γ: 90°
• Cell volume: 1489.4 ± 0.5 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 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 significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No