Information card for entry 1553668

Structure parameters

• Formula: C27 H30 N4 O3
• Calculated formula: C27 H30 N4 O3
• SMILES: Oc1c(/C=N/CCN(CC/N=C/c2c(O)cccc2)CC/N=C/c2c(O)cccc2)cccc1
• 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: 9.8325 ± 0.001 Å
• b: 11.2257 ± 0.001 Å
• c: 22.882 ± 0.002 Å
• α: 90°
• β: 98.783 ± 0.009°
• γ: 90°
• Cell volume: 2496 ± 0.4 ų
• Cell temperature: 292.76 ± 0.15 K
• Ambient diffraction temperature: 292.76 ± 0.15 K
• Number of distinct elements: 4
• 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: 0.1107
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1734
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No