Information card for entry 7222129

Structure parameters

• Formula: C16 H23 N O8
• Calculated formula: C16 H24 N O7
• SMILES: O.O.O.[O-]c1c(/C=C/c2cc[n+](C)cc2)cc(cc1OC)C=O.O
• Title of publication: An ICT based ultraselective and sensitive fluorescent probe for detection of HClO in living cells
• Authors of publication: Yue, Yongkang; Huo, Fangjun; Yin, Caixia; Chao, Jianbin; Yongbin Zhang, Yongbin Zhang; Wei, Xing
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 95
• Pages of publication: 77670
• a: 6.3846 ± 0.0013 Å
• b: 16.788 ± 0.004 Å
• c: 7.9738 ± 0.0016 Å
• α: 90°
• β: 92.052 ± 0.004°
• γ: 90°
• Cell volume: 854.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No