Information card for entry 7063297

Structure parameters

• Chemical name: 1,4,8,11-tetrafluorodibenzo[d,g][1,2,3,6]tetrathiocine
• Formula: C12 H4 F4 S4
• Calculated formula: C12 H4 F4 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: 4.4346 ± 0.0004 Å
• b: 29.235 ± 0.003 Å
• c: 10.3338 ± 0.0011 Å
• α: 90°
• β: 100.54 ± 0.004°
• γ: 90°
• Cell volume: 1317.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.058
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No