Information card for entry 1553667

Structure parameters

• Formula: C18 H16 Cl4 N4 O2
• Calculated formula: C18 H15.784 Cl4 N2.66667 O2
• Title of publication: Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties
• Authors of publication: Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 1
• Journal issue: 6
• Pages of publication: 1041
• a: 14.7047 ± 0.0004 Å
• b: 14.7047 ± 0.0004 Å
• c: 23.9058 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4476.6 ± 0.2 ų
• Cell temperature: 103 ± 4 K
• Ambient diffraction temperature: 103 ± 4 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No