Information card for entry 7250578

Structure parameters

• Formula: C19 H17 N S
• Calculated formula: C19 H17 N S
• Title of publication: Engineering visible-to-ultraviolet emission switching of benzothiazole-based mechanoresponsive materials
• Authors of publication: Yoshino, Riku; Kobayashi, Kazuki; Yang, Peiyuan; Fukumoto, Hiroki; Yasui, Motohiro; Yamada, Shigeyuki; Konno, Tsutomu; Morita, Masato
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 32
• Pages of publication: 5398 - 5403
• a: 9.0381 ± 0.0003 Å
• b: 9.7302 ± 0.0002 Å
• c: 10.2613 ± 0.0004 Å
• α: 101.159 ± 0.002°
• β: 110.509 ± 0.003°
• γ: 108.369 ± 0.003°
• Cell volume: 753.79 ± 0.05 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No