Information card for entry 7135079

Structure parameters

• Common name: (2,6-dibromoantracence- 9,10-diyl)bis-(phenylsulfane)
• Chemical name: (2,6-dibromoantracence- 9,10-diyl)bis-(phenylsulfane)
• Formula: C26 H16 Br2 S2
• Calculated formula: C26 H16 Br2 S2
• Title of publication: Key role of oxygen and base in catalytic thioetherification: access to sulfur bridged poly-aromatic hydrocarbons.
• Authors of publication: Nag, Bedabara; Kumar, Akshai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 92
• Pages of publication: 18120 - 18123
• a: 8.9039 ± 0.0005 Å
• b: 5.6737 ± 0.0003 Å
• c: 22.1636 ± 0.0013 Å
• α: 90°
• β: 101.035 ± 0.002°
• γ: 90°
• Cell volume: 1098.96 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0617
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No