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Information card for entry 1553668
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1553668.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H30 N4 O3 |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1553668.html
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Users of the data should acknowledge the original authors of the
structural data.