Information card for entry 7152694

Structure parameters

• Formula: C19 H18 O3
• Calculated formula: C19 H18 O3
• SMILES: c1(cc(ccc1O)C)C(=O)/C=C/c1c(OCC=C)cccc1
• Title of publication: A highly sensitive fluorescent probe based on simple pyrazoline for Zn(2+) in living neuron cells.
• Authors of publication: Zhang, Zhe; Wang, Fang-Wu; Wang, Sheng-Qing; Ge, Fei; Zhao, Bao-Xiang; Miao, Jun-Ying
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 43
• Pages of publication: 8640 - 8644
• a: 14.8086 ± 0.0016 Å
• b: 8.8273 ± 0.001 Å
• c: 12.8851 ± 0.0014 Å
• α: 90°
• β: 108.871 ± 0.002°
• γ: 90°
• Cell volume: 1593.8 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• 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: 0.0649
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No