Information card for entry 7236739

Structure parameters

• Common name: BF3
• Chemical name: 2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-5-methylphenol
• Formula: C24 H19 Cl N2 O S2
• Calculated formula: C24 H19 Cl N2 O 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: 8.0688 ± 0.0002 Å
• b: 11.8414 ± 0.0002 Å
• c: 12.8095 ± 0.0002 Å
• α: 115.263 ± 0.002°
• β: 105.748 ± 0.002°
• γ: 95.196 ± 0.002°
• Cell volume: 1034.91 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No