Information card for entry 1513254

Structure parameters

• Formula: C88 H108 F8 N8 O4 S16
• Calculated formula: C88 H108 F8 N8 O4 S16
• SMILES: C1OCCSC2=C(SC(S2)=C2SC(=C(S2)SCCCCCCCCCC)SCCCCCCCCCC)SCCOCCOCCSC2=C(SC(S2)=C2SC(=C(S2)SCCCCCCCCCC)SCCCCCCCCCC)SCCOC1.FC1C(C(F)=C(F)C(C=1F)=C(C#N)C#N)=C(C#N)C#N.FC1C(C(F)=C(F)C(C=1F)=C(C#N)C#N)=C(C#N)C#N
• Title of publication: Langmuir−Blodgett Films of Amphiphilic Bis(tetrathiafulvalene) Macrocycles with Four Alkyl Chains
• Authors of publication: Akutagawa, Tomoyuki; Kakiuchi, Keiko; Hasegawa, Tatsuo; Nakamura, Takayoshi; Christensen, Christian A.; Becher, Jan
• Journal of publication: Langmuir
• Year of publication: 2004
• Journal volume: 20
• Journal issue: 10
• Pages of publication: 4187
• a: 10.3053 ± 0.0001 Å
• b: 15.147 ± 0.001 Å
• c: 17.1861 ± 0.0001 Å
• α: 101.277 ± 0.0005°
• β: 106.609 ± 0.0003°
• γ: 103.697 ± 0.003°
• Cell volume: 2395.7 ± 0.17 ų
• Cell temperature: 103.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1506850
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No