Information card for entry 4120132

Structure parameters

• Chemical name: 2,5-Di(2-thienyl)-3,4-di(2-thiazolyl)thiophene
• Formula: C18 H10 N2 S5
• Calculated formula: C18 H10 N2 S5
• Title of publication: Distinct Responses to Mechanical Grinding and Hydrostatic Pressure in Luminescent Chromism of Tetrathiazolylthiophene
• Authors of publication: Kazuhiko Nagura; Shohei Saito; Hitoshi Yusa; Hiroshi Yamawaki; Hiroshi Fujihisa; Hiroyasu Sato; Yuichi Shimoikeda; Shigehiro Yamaguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 10322 - 10325
• a: 11.7818 ± 0.0015 Å
• b: 7.7825 ± 0.0009 Å
• c: 19.417 ± 0.002 Å
• α: 90°
• β: 104.338 ± 0.0005°
• γ: 90°
• Cell volume: 1724.9 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No