Information card for entry 4120131

Structure parameters

• Chemical name: 2,5-Di(2-thiazolyl)-3,4-di(2-thienyl)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: 7.6074 ± 0.001 Å
• b: 10.3355 ± 0.0013 Å
• c: 21.95 ± 0.003 Å
• α: 90°
• β: 93.88 ± 0.003°
• γ: 90°
• Cell volume: 1721.9 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No