Information card for entry 7227931

Structure parameters

• Chemical name: 5-diphenylamino-2-(4-pyridinium)thiazole
• Formula: C28 H22 F3 N3 O3 S2
• Calculated formula: C28 H22 F3 N3 O3 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: 7.1453 ± 0.0001 Å
• b: 9.8932 ± 0.0002 Å
• c: 19.2696 ± 0.0004 Å
• α: 83.277 ± 0.001°
• β: 84.66 ± 0.001°
• γ: 73.971 ± 0.001°
• Cell volume: 1297.57 ± 0.04 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No