Information card for entry 7224711

Structure parameters

• Common name: 5-TPTZ-2
• Chemical name: 5-(5-nitrothiophen-2-yl)-4-phenyl-2-(piperidin-1-yl)thiazole
• Formula: C18 H17 N3 O2 S2
• Calculated formula: C18 H17 N3 O2 S2
• SMILES: c1(c(c2ccccc2)nc(N2CCCCC2)s1)c1ccc(N(=O)=O)s1
• Title of publication: Fluorophores Based on a Minimal Thienylthiazole Core: Towards Multifunctional Materials with Solid State Red Emissions, Solvatochromism and AIE Behaviour
• Authors of publication: Radhakrishnan, Rakesh; Kumaran, Sreejalekshmi Girija
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.6077 ± 0.0007 Å
• b: 7.6101 ± 0.0004 Å
• c: 36.685 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3519.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No