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Information card for entry 7123697
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| Coordinates | 7123697.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H47 F18 N8 O7 P3 S |
|---|---|
| Calculated formula | C51 H47 F18 N8 O7 P3 S |
| Title of publication | A diquat-contained macrocyclic anion acceptor in pure water |
| Authors of publication | Lei, Ye; Shen, Libo; Liu, Ji-Ren; Jiao, Tianyu; Zhang, Yang; Zhang, Chi; tong, lu; Hong, Xin; Pan, Yuanjiang; Li, Hao |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 17.4113 ± 0.0005 Å |
| b | 33.6611 ± 0.0011 Å |
| c | 20.8777 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12236.1 ± 0.6 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 169.99 K |
| Number of distinct elements | 7 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.2111 |
| Residual factor for significantly intense reflections | 0.1307 |
| Weighted residual factors for significantly intense reflections | 0.3618 |
| Weighted residual factors for all reflections included in the refinement | 0.4193 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.318 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216432 (current) | 2019-06-21 | cif/ Adding structures of 7123695, 7123696, 7123697 via cif-deposit CGI script. |
7123697.cif |
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Users of the data should acknowledge the original authors of the
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