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Information card for entry 1568260
Preview
| Coordinates | 1568260.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H41 Br N2 |
|---|---|
| Calculated formula | C21 H41 Br N2 |
| Title of publication | Bridging the crystal and solution structure of a series of lipid-inspired ionic liquids. |
| Authors of publication | Bellia, Sophia A.; Metzler, Matthew; Huynh, Marissa; Zeller, Matthias; Mirjafari, Arsalan; Cohn, Pamela; Hillesheim, Patrick C. |
| Journal of publication | Soft matter |
| Year of publication | 2023 |
| Journal volume | 19 |
| Journal issue | 4 |
| Pages of publication | 749 - 765 |
| a | 6.715 ± 0.003 Å |
| b | 7.437 ± 0.002 Å |
| c | 24.396 ± 0.009 Å |
| α | 86.48 ± 0.02° |
| β | 82.188 ± 0.017° |
| γ | 68.301 ± 0.012° |
| Cell volume | 1121.4 ± 0.7 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0663 |
| Residual factor for significantly intense reflections | 0.0628 |
| Weighted residual factors for significantly intense reflections | 0.1676 |
| Weighted residual factors for all reflections included in the refinement | 0.1693 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.196 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281616 (current) | 2023-03-04 | cif/ Updating files of 1568260, 1568261, 1568262 Original log message: Adding full bibliography for 1568260--1568262.cif. |
1568260.cif |
| 280264 | 2023-01-10 | cif/ Adding structures of 1568260, 1568261, 1568262 via cif-deposit CGI script. |
1568260.cif |
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Users of the data should acknowledge the original authors of the
structural data.