Information card for entry 7059535

Structure parameters

• Formula: C36 H50 S4
• Calculated formula: C36 H50 S4
• Title of publication: Synthesis and characterization of bis(dithiafulvenyl)-substituted fluorenones and fluorenylidene-1,3-dithioles
• Authors of publication: Salami, Fatemeh; Zhao, Yuming
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 9179 - 9189
• a: 9.32 ± 0.0001 Å
• b: 10.2529 ± 0.0002 Å
• c: 35.0079 ± 0.0005 Å
• α: 90°
• β: 92.202 ± 0.001°
• γ: 90°
• Cell volume: 3342.78 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0758
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1731
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No