Information card for entry 8100209

Structure parameters

• Formula: C21 H18 F6 S6
• Calculated formula: C21 H18 F6 S6
• SMILES: s1c(c(C2=C(C(F)(F)C(F)(F)C2(F)F)c2c(sc(c2)C2SCCS2)C)cc1C1SCCS1)C
• Title of publication: Crystal structure of 3,3,4,4,5,5-hexafluoro-1,2-bis{5- [2-(1,3-dithiocyclopentyl)]-2-methyl-3-thienyl}-cyclopent-1-ene, C~21~H~18~F~6~S~6~
• Authors of publication: Pu, Shou-Zhi; Shen, Liang; Xu, Jin-Kun; Wang, Ru-Ji; Xiao, Qiang; Liu, Gan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 473 - 474
• a: 10.7626 ± 0.0015 Å
• b: 10.8709 ± 0.0016 Å
• c: 12.6181 ± 0.0015 Å
• α: 112.75 ± 0.011°
• β: 100.612 ± 0.01°
• γ: 105.477 ± 0.011°
• Cell volume: 1241.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No