Information card for entry 4120129

Structure parameters

• Chemical name: 2,3,4,5-Tetra(2-thiazolyl)thiophene
• Formula: C16 H8 N4 S5
• Calculated formula: C16 H8 N4 S5
• SMILES: s1c(c(c(c1c1sccn1)c1sccn1)c1sccn1)c1sccn1
• 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: 11.3154 ± 0.0018 Å
• b: 11.9773 ± 0.0019 Å
• c: 12.598 ± 0.002 Å
• α: 90°
• β: 94.3205 ± 0.0009°
• γ: 90°
• Cell volume: 1702.5 ± 0.5 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: 0.0341
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No