Information card for entry 1542969

Structure parameters

• Chemical name: N-(2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno [3,2-e]pyridin-2-yl)phenyl)-4-methylbenzenesulfonamide
• Formula: C30 H24 Cl N3 O2 S3
• Calculated formula: C30 H24 Cl N3 O2 S3
• SMILES: s1c2nc3sc(cc3c(c2nc1c1c(NS(=O)(=O)c2ccc(cc2)C)cccc1)c1c(Cl)cccc1)C(C)C
• 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: 10.6742 ± 0.0005 Å
• b: 10.973 ± 0.0006 Å
• c: 13.2942 ± 0.0007 Å
• α: 112.061 ± 0.005°
• β: 95.45 ± 0.004°
• γ: 93.025 ± 0.004°
• Cell volume: 1429.98 ± 0.14 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: 0.068
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No