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Information card for entry 1569962
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Coordinates | 1569962.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H55 O10 P3 |
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Calculated formula | C52 H55 O10 P3 |
Title of publication | Host-guest system of a phosphorylated macrocycle assisting structure determination of oily molecules in single-crystal form. |
Authors of publication | Jiao, Jianmin; Li, Heng; Xie, Wang; Zhao, Yue; Lin, Chen; Jiang, Juli; Wang, Leyong |
Journal of publication | Chemical science |
Year of publication | 2023 |
Journal volume | 14 |
Journal issue | 41 |
Pages of publication | 11402 - 11409 |
a | 9.1368 ± 0.0003 Å |
b | 11.1106 ± 0.0004 Å |
c | 23.2706 ± 0.0007 Å |
α | 80.5 ± 0.001° |
β | 86.409 ± 0.001° |
γ | 76.836 ± 0.001° |
Cell volume | 2267.93 ± 0.13 Å3 |
Cell temperature | 193 K |
Ambient diffraction temperature | 193 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 | 0.045 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.1147 |
Weighted residual factors for all reflections included in the refinement | 0.1182 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1569962.html
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Users of the data should acknowledge the original authors of the
structural data.