Information card for entry 7114752

Structure parameters

• Chemical name: 1,2-bis(5-(4-pyridyl)-2-methyl-3-thienyl)hexafluorocyclopentene
• Formula: C25 H16 F6 N2 S2
• Calculated formula: C25 H16 F6 N2 S2
• SMILES: s1c(c(C2=C(c3c(sc(c4ccncc4)c3)C)C(F)(F)C(F)(F)C2(F)F)cc1c1ccncc1)C
• Title of publication: Single-crystalline photochromism of a linear coordination polymer composed of 1,2-bis[2-methyl-5-(4-pyridyl)-3-thienyl]perfluorocyclopentene and bis(hexafluoroacetylacetonato)zinc(ii)
• Authors of publication: Matsuda, Kenji; Takayama, Kohsuke; Irie, Masahiro
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 4
• Pages of publication: 363
• a: 11.6091 ± 0.0018 Å
• b: 12.899 ± 0.002 Å
• c: 15.818 ± 0.003 Å
• α: 76.85 ± 0.002°
• β: 85.771 ± 0.002°
• γ: 77.02 ± 0.002°
• Cell volume: 2247 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No