Information card for entry 7063296

Structure parameters

• Chemical name: perfluorodiindeno[5,6-c:5',6'-g][1,2,5,6]tetrathiocine
• Formula: C18 F16 S4
• Calculated formula: C18 F16 S4
• Title of publication: Synthesis, structural peculiarities, and photosensitivity of fluorinated dibenzo-1,2,5,6-tetrathiocines
• Authors of publication: Buravlev, Alexander A.; Makarov, Alexander Yu.; Salnikov, Georgy E.; Genaev, Alexander M.; Bagryanskaya, Irina Yu.; Nikulshin, Pavel V.; Platonov, Vyacheslav E.; Zibarev, Andrey V.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 28
• Pages of publication: 12807 - 12816
• a: 16.0085 ± 0.0007 Å
• b: 11.8439 ± 0.0004 Å
• c: 10.6197 ± 0.0004 Å
• α: 90°
• β: 91.983 ± 0.002°
• γ: 90°
• Cell volume: 2012.32 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0865
• 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: No
• Has Fobs: No