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Information card for entry 1568262
Preview
Coordinates | 1568262.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H41 F6 N3 O4 S2 |
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Calculated formula | C23 H41 F6 N3 O4 S2 |
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 | 7.0531 ± 0.0002 Å |
b | 15.7762 ± 0.0005 Å |
c | 27.107 ± 0.0009 Å |
α | 96.4858 ± 0.0018° |
β | 95.9509 ± 0.0017° |
γ | 98.1327 ± 0.0017° |
Cell volume | 2944.75 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1068 |
Residual factor for significantly intense reflections | 0.089 |
Weighted residual factors for significantly intense reflections | 0.2519 |
Weighted residual factors for all reflections included in the refinement | 0.2612 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
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. |
1568262.cif |
280264 | 2023-01-10 | cif/ Adding structures of 1568260, 1568261, 1568262 via cif-deposit CGI script. |
1568262.cif |
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Users of the data should acknowledge the original authors of the
structural data.