Information card for entry 7119697

Structure parameters

• Formula: C16 H12 O2 S2
• Calculated formula: C16 H12 O2 S2
• Title of publication: Improved stability of a metallic state in benzothienobenzothiophene-based molecular conductors: an effective increase of dimensionality with hydrogen bonds.
• Authors of publication: Higashino, Toshiki; Ueda, Akira; Yoshida, Junya; Mori, Hatsumi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 3426 - 3429
• a: 10.676 ± 0.004 Å
• b: 10.861 ± 0.004 Å
• c: 13.225 ± 0.005 Å
• α: 104.975 ± 0.004°
• β: 102.681 ± 0.004°
• γ: 99.616 ± 0.004°
• Cell volume: 1403.9 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No