Information card for entry 7227930

Structure parameters

• Chemical name: 5-diphenylamino-2-(4-pyridinium)thiazole?THF
• Formula: C30 H26 F3 N3 O3.5 S2
• Calculated formula: C30 H26 F3 N3 O3.5 S2
• Title of publication: Pyridinium 5-aminothiazoles: specific photophysical properties and vapochromism in halogenated solvents
• Authors of publication: Yamaguchi, Kirara; Murai, Toshiaki; Tsuchiya, Yuki; Miwa, Yohei; Kutsumizu, Shoichi; Sasamori, Takahiro; Tokitoh, Norihiro
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 29
• Pages of publication: 18132
• a: 44.6818 ± 0.0013 Å
• b: 7.1241 ± 0.0003 Å
• c: 18.747 ± 0.001 Å
• α: 90°
• β: 111.205 ± 0.0016°
• γ: 90°
• Cell volume: 5563.5 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.2127
• Weighted residual factors for all reflections included in the refinement: 0.2255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No