Information card for entry 7152668

Structure parameters

• Formula: C32 H26 S8
• Calculated formula: C32 H26 S8
• SMILES: C1(SC(=C(S1)SC)SC)=C(c1cc2ccccc2cc1)C(=C1SC(=C(S1)SC)SC)c1cc2ccccc2cc1
• Title of publication: Conformational control of TTFV π-frameworks through naphthyl substituents.
• Authors of publication: Bouzan, Stephen; Chen, Guang; Mulla, Karimulla; Dawe, Louise N.; Zhao, Yuming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 38
• Pages of publication: 7673 - 7676
• a: 20.472 ± 0.008 Å
• b: 9.432 ± 0.003 Å
• c: 15.9 ± 0.006 Å
• α: 90°
• β: 93.519 ± 0.005°
• γ: 90°
• Cell volume: 3064.4 ± 1.9 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No