Information card for entry 1542968

Structure parameters

• Chemical name: N-(2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenyl)methanesulfonamide
• Formula: C24 H20 Cl N3 O2 S3
• Calculated formula: C24 H20 Cl N3 O2 S3
• SMILES: Clc1c(c2c3cc(sc3nc3sc(nc23)c2c(NS(=O)(=O)C)cccc2)C(C)C)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: 9.5948 ± 0.0006 Å
• b: 10.3128 ± 0.0007 Å
• c: 12.0188 ± 0.0008 Å
• α: 87.285 ± 0.005°
• β: 86.081 ± 0.005°
• γ: 83.966 ± 0.005°
• Cell volume: 1178.93 ± 0.13 ų
• Cell temperature: 293 ± 10 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: 0.0756
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No