Information card for entry 7057995

Structure parameters

• Formula: C18 H16 O4 S3
• Calculated formula: C18 H16 O4 S3
• 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: 8.573 ± 0.003 Å
• b: 11.488 ± 0.004 Å
• c: 18.172 ± 0.007 Å
• α: 95.972 ± 0.005°
• β: 95.42 ± 0.006°
• γ: 90.091 ± 0.006°
• Cell volume: 1771.9 ± 1.1 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: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No