Information card for entry 7053962

Structure parameters

• Formula: C22 H18 S7
• Calculated formula: C22 H18 S7
• SMILES: S(C)C1=C(SC)SC(S1)=C1SC=C(S1)SCc1ccc2c(c1)Cc1c2cccc1
• Title of publication: TTF‒fluorene dyads and their M(CN)2− (M = Ag, Au) salts designed for photoresponsive conducting materials
• Authors of publication: Tsujimoto, Keijiro; Ogasawara, Reiko; Kishi, Yosuke; Fujiwara, Hideki
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 1
• Pages of publication: 406
• a: 17.4587 ± 0.0017 Å
• b: 5.3231 ± 0.0006 Å
• c: 25.758 ± 0.002 Å
• α: 90°
• β: 106.132 ± 0.002°
• γ: 90°
• Cell volume: 2299.5 ± 0.4 ų
• Cell temperature: 296.1 K
• Ambient diffraction temperature: 296.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No