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Information card for entry 4029187
Preview
Coordinates | 4029187.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H44 N4 O4.5 |
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Calculated formula | C62 H44 N4 O4.5 |
Title of publication | Tetraphenylethylene-based expanded oxacalixarene: synthesis, structure, and its supramolecular grid assemblies directed by guests in the solid state. |
Authors of publication | Zhang, Chun; Wang, Zhen; Song, Song; Meng, Xianggao; Zheng, Yan-Song; Yang, Xiang-Liang; Xu, Hui-Bi |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 6 |
Pages of publication | 2729 - 2732 |
a | 12.237 ± 0.004 Å |
b | 12.745 ± 0.004 Å |
c | 17.157 ± 0.006 Å |
α | 79.464 ± 0.006° |
β | 89.857 ± 0.006° |
γ | 65.497 ± 0.005° |
Cell volume | 2385.7 ± 1.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1588 |
Residual factor for significantly intense reflections | 0.0615 |
Weighted residual factors for significantly intense reflections | 0.1291 |
Weighted residual factors for all reflections included in the refinement | 0.1738 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4029187.html
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