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Information card for entry 1557264
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| Coordinates | 1557264.cif |
|---|---|
| Structure factors | 1557264.hkl |
| Original IUCr paper | HTML |
| Chemical name | Hydronium bis(trifluoromethanesulfonyl)amide‒18-crown-6 (1/1) |
|---|---|
| Formula | C14 H27 F6 N O11 S2 |
| Calculated formula | C14 H27 F6 N O11 S2 |
| Title of publication | Hydronium bis(trifluoromethanesulfonyl)amide‒18-crown-6 (1/1) |
| Authors of publication | Kitada, Atsushi; Funasako, Yusuke; Matsumoto, Kazuhiko; Hagiwara, Rika; Inokuchi, Makoto; Fukami, Kazuhiro; Murase, Kuniaki |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 2 |
| Pages of publication | x200162 |
| a | 8.8341 ± 0.0004 Å |
| b | 24.3932 ± 0.0009 Å |
| c | 11.6111 ± 0.0005 Å |
| α | 90° |
| β | 108.086 ± 0.002° |
| γ | 90° |
| Cell volume | 2378.47 ± 0.17 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.064 |
| Residual factor for significantly intense reflections | 0.0624 |
| Weighted residual factors for significantly intense reflections | 0.161 |
| Weighted residual factors for all reflections included in the refinement | 0.162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247947 (current) | 2020-02-07 | cif/ hkl/ Adding structures of 1557264 via cif-deposit CGI script. |
1557264.cif 1557264.hkl |
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Users of the data should acknowledge the original authors of the
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