Information card for entry 1542966

Structure parameters

• Common name: DF1
• Chemical name: -(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol
• Formula: C23 H17 Cl N2 O S2
• Calculated formula: C23 H17 Cl N2 O S2
• SMILES: Clc1c(c2c3c(sc(c3)C(C)C)nc3sc(nc23)c2c(O)cccc2)cccc1
• Title of publication: An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)
• Authors of publication: Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 4485
• a: 9.1702 ± 0.0004 Å
• b: 18.4101 ± 0.0009 Å
• c: 24.3386 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4108.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0833
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No