Information card for entry 1553670

Structure parameters

• Formula: C30 H34 N4 O6
• Calculated formula: C30 H34 N4 O6
• SMILES: C(=C\N(CC/N=C/c1c(O)c(OC)ccc1)CC/N=C/c1c(c(OC)ccc1)O)/N=C/c1c(O)c(ccc1)OC
• 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: 6.29545 ± 0.00012 Å
• b: 15.9502 ± 0.0004 Å
• c: 28.8235 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2894.27 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No