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Information card for entry 1550418
Preview
| Coordinates | 1550418.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C142 H201 N36 O33 P2 |
|---|---|
| Calculated formula | C142 H198 N36 O33 P2 |
| Title of publication | Selective recognition of choline phosphate by tripodal hexa-urea receptors with dual binding sites: crystal and solution evidence |
| Authors of publication | Zuo, Wei; Jia, Chuandong; Zhang, Huizheng; Zhao, Yanxia; Yang, Xiao-Juan; Wu, Biao |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 22.7938 ± 0.0008 Å |
| b | 18.9289 ± 0.0004 Å |
| c | 23.1163 ± 0.0008 Å |
| α | 90° |
| β | 119.257 ± 0.005° |
| γ | 90° |
| Cell volume | 8701.5 ± 0.6 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1211 |
| Residual factor for significantly intense reflections | 0.1074 |
| Weighted residual factors for significantly intense reflections | 0.2146 |
| Weighted residual factors for all reflections included in the refinement | 0.2201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212913 (current) | 2019-01-11 | cif/ Adding structures of 1550416, 1550417, 1550418 via cif-deposit CGI script. |
1550418.cif |
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Users of the data should acknowledge the original authors of the
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