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Information card for entry 7235403
Preview
Coordinates | 7235403.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H70 N4 O20 S |
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Calculated formula | C50 H70 N4 O20 S |
Title of publication | Illuminating host‒guest cocrystallization between pyrogallol[4]arenes and the ionic liquid 1-ethyl-3-methylimidazolium ethylsulfate |
Authors of publication | Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Beavers, Christine M.; Baker, Gary A.; Atwood, Jerry L. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 27 |
Pages of publication | 6010 |
a | 12.328 ± 0.005 Å |
b | 16.545 ± 0.007 Å |
c | 12.821 ± 0.005 Å |
α | 90° |
β | 109.19 ± 0.005° |
γ | 90° |
Cell volume | 2469.7 ± 1.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/c 1 |
Hall space group symbol | -P 2yc |
Residual factor for all reflections | 0.085 |
Residual factor for significantly intense reflections | 0.0668 |
Weighted residual factors for significantly intense reflections | 0.2 |
Weighted residual factors for all reflections included in the refinement | 0.2194 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.7749 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7235403.html
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