Information card for entry 7108714

Structure parameters

• Formula: C32 H36 N4 O8 S2
• Calculated formula: C32 H36 N4 O8 S2
• SMILES: c12sc(c3ccc(cc3)N(CCOC(=O)C)CCOC(=O)C)nc1sc(c1ccc(cc1)N(CCOC(=O)C)CCOC(=O)C)n2
• Title of publication: A thiazolothiazole based Cu2+ selective colorimetric and fluorescent sensor via unique radical formation
• Authors of publication: Ji Young Jung; Minkyung Kang; Jihyun Chun; Jungha Lee; Jaemee Kim; Jinheung Kim; Youngmee Kim; Sung-Jin Kim; Chongmok Lee; Juyoung Yoon
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 176
• a: 42.455 ± 0.009 Å
• b: 9.0245 ± 0.0018 Å
• c: 8.5542 ± 0.0017 Å
• α: 90°
• β: 97.96 ± 0.03°
• γ: 90°
• Cell volume: 3245.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1402
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No