Information card for entry 1514922

Structure parameters

• Formula: C13 H13 N O2
• Calculated formula: C13 H13 N O2
• SMILES: OCC/[NH+]=C/c1c2ccccc2ccc1[O-]
• Title of publication: A turn-on and reversible fluorescence sensor for zinc ion.
• Authors of publication: Lin, Hsiang-Yi; Cheng, Pi-Yun; Wan, Chin-Feng; Wu, An-Tai
• Journal of publication: The Analyst
• Year of publication: 2012
• Journal volume: 137
• Journal issue: 19
• Pages of publication: 4415 - 4417
• a: 15.982 ± 0.016 Å
• b: 4.957 ± 0.005 Å
• c: 27.97 ± 0.03 Å
• α: 90°
• β: 104.77 ± 0.05°
• γ: 90°
• Cell volume: 2143 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.2329
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 0.728
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No