Information card for entry 7201292

Structure parameters

• Common name: Di(4-(1,1-dimethylpropyl)penteno(1,2-d)(1',2'-d)-1,4,5,8- tetrathiafulvalene
• Formula: C22 H32 S4
• Calculated formula: C22 H32 S4
• SMILES: C1(SC2=C(CC(C2)C(C)(C)CC)S1)=C1SC2=C(CC(C2)C(CC)(C)C)S1
• Title of publication: Stabilization of organic field-effect transistors in hexamethylenetetrathiafulvalene derivatives substituted by bulky alkyl groups
• Authors of publication: Kanno, Masato; Bando, Yoshimasa; Shirahata, Takashi; Inoue, Jun-ichi; Wada, Hiroshi; Mori, Takehiko
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 36
• Pages of publication: 6548
• a: 6.387 ± 0.0009 Å
• b: 14.408 ± 0.003 Å
• c: 6.32 ± 0.001 Å
• α: 93.17 ± 0.02°
• β: 110.22 ± 0.01°
• γ: 91.12 ± 0.01°
• Cell volume: 544.45 ± 0.17 ų
• Cell temperature: 293.2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No