Information card for entry 7057996

Structure parameters

• Formula: C18 H16 O4 S2
• Calculated formula: C18 H16 O4 S2
• Title of publication: Di- and tetramethoxy benzothienobenzothiophenes: substitution position effects on the intermolecular interactions, crystal packing and transistor properties
• Authors of publication: Higashino, Toshiki; Ueda, Akira; Mori, Hatsumi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 884
• a: 12.164 ± 0.004 Å
• b: 8.759 ± 0.003 Å
• c: 7.875 ± 0.003 Å
• α: 90°
• β: 97.646 ± 0.004°
• γ: 90°
• Cell volume: 831.6 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No