Information card for entry 7236736

Structure parameters

• Common name: AF1
• Chemical name: 8-(2-chlorophenyl)-2-(2,6-dimethoxyphenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridine
• Formula: C25 H21 Cl N2 O2 S2
• Calculated formula: C25 H21 Cl N2 O2 S2
• Title of publication: Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)
• Authors of publication: Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 14
• Pages of publication: 3456
• a: 7.7123 ± 0.0001 Å
• b: 14.4156 ± 0.0002 Å
• c: 20.6891 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2300.16 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No