Information card for entry 7236737

Structure parameters

• Common name: BF1
• Chemical name: 2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-4-nitrophenol
• Formula: C25 H22 Cl N3 O4 S2
• Calculated formula: C25 H22 Cl N3 O4 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: 7.5032 ± 0.0004 Å
• b: 12.2427 ± 0.0009 Å
• c: 14.1014 ± 0.0011 Å
• α: 88.124 ± 0.006°
• β: 76.84 ± 0.005°
• γ: 82.587 ± 0.005°
• Cell volume: 1250.78 ± 0.15 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: 0.0785
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No