Information card for entry 7235869

Structure parameters

• Formula: C51 H36 Cl2 N4 O2
• Calculated formula: C51 H36 Cl2 N4 O2
• Title of publication: An ESIPT fluorescent dye based on HBI with high quantum yield and large Stokes shift for selective detection of Cys
• Authors of publication: Zhang, Ying; Wang, Jun-Hao; Zheng, Wenjie; Chen, Tianfeng; Tong, Qing-Xiao; Li, Dan
• Journal of publication: J. Mater. Chem. B
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 26
• Pages of publication: 4159
• a: 12.0614 ± 0.001 Å
• b: 12.2502 ± 0.001 Å
• c: 14.7645 ± 0.0013 Å
• α: 87.449 ± 0.007°
• β: 85.384 ± 0.007°
• γ: 72.203 ± 0.007°
• Cell volume: 2069.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.2514
• Weighted residual factors for all reflections included in the refinement: 0.2817
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No