Information card for entry 7205580

Structure parameters

• Formula: C25 H18 N2 O S
• Calculated formula: C25 H18 N2 O S
• SMILES: c12ccccc1nc(c1c(cc(cc1)N(c1ccccc1)c1ccccc1)O)s2
• Title of publication: Hydroxyphenyl-benzothiazole based full color organic emitting materials generated by facile molecular modification
• Authors of publication: Yao, Dandan; Zhao, Shanshan; Guo, Jianhua; Zhang, Zuolun; Zhang, Hongyu; Liu, Yu; Wang, Yue
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2011
• Journal volume: 21
• Journal issue: 11
• Pages of publication: 3568
• a: 20.542 ± 0.004 Å
• b: 7.2295 ± 0.0014 Å
• c: 13.494 ± 0.003 Å
• α: 90°
• β: 98.92 ± 0.03°
• γ: 90°
• Cell volume: 1979.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1105
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No