Information card for entry 7129342

Structure parameters

• Formula: C14 H14 Cl N O3
• Calculated formula: C14 H14 Cl N O3
• SMILES: Clc1c2c(cc(N(CC)CC)cc2)oc(=O)c1C=O
• Title of publication: Host–guest type multiple site fluorescent probe for GSH detection in living organisms
• Authors of publication: Liu, Tao; Yue, Yongkang; Zhai, Yunze; Guo, Zilong; Zhao, Wenjing; Yang, Xufeng; Chen, Dongdong; Yin, Caixia
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 10.281 ± 0.004 Å
• b: 13.526 ± 0.005 Å
• c: 9.721 ± 0.003 Å
• α: 90°
• β: 107.048 ± 0.005°
• γ: 90°
• Cell volume: 1292.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.141
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.2277
• Weighted residual factors for all reflections included in the refinement: 0.2566
• 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