Information card for entry 8100698

Structure parameters

• Formula: C21 H18 F6 O4 S2
• Calculated formula: C21 H18 F6 O4 S2
• SMILES: s1c(c(C2=C(C(F)(F)C(F)(F)C2(F)F)c2c(sc(c2)C2OCCO2)C)cc1C1OCCO1)C
• Title of publication: Crystal structure of 1,2-bis[2-methyl-5-(2-(1,3-dioxolane))-thien- 3-yl]perfluorocyclopentene, C~5~F~6~(C~4~HSCH~3~)~2~(C~3~H~4~O~2~) ~2~, a novel photochromic compound
• Authors of publication: Pu, Shou-Zhi; Zhang, Fu-Shi; Zhou, Xin-Hong; Sun, Fan; Guo, Hao-Bo; Chan, Shek-Kiu; Wang, Ru-Ji
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 3
• Pages of publication: 413 - 414
• a: 8.7409 ± 0.0013 Å
• b: 8.8215 ± 0.001 Å
• c: 28.547 ± 0.004 Å
• α: 90°
• β: 94.967 ± 0.013°
• γ: 90°
• Cell volume: 2192.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No