Information card for entry 7224712

Structure parameters

• Common name: 5-TPTZ-3
• Chemical name: 4-(furan-2-yl)-5-(5-nitrothiophen-2-yl)-N,N-diphenylthiazol-2-amine
• Formula: C23 H15 N3 O3 S2
• Calculated formula: C23 H15 N3 O3 S2
• SMILES: c1(ccc(c2c(c3ccco3)nc(N(c3ccccc3)c3ccccc3)s2)s1)N(=O)=O
• 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: 5.5393 ± 0.0003 Å
• b: 10.8879 ± 0.0005 Å
• c: 17.6155 ± 0.001 Å
• α: 76.715 ± 0.004°
• β: 87.017 ± 0.003°
• γ: 86.648 ± 0.003°
• Cell volume: 1031.4 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No