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Information card for entry 1518368
Preview
Coordinates | 1518368.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | ksk1928 |
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Formula | C163 H193 Cl6 F2 N10 O15 |
Calculated formula | C161 H173.53 Cl2 F2 N10 O14.53 |
Title of publication | Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles |
Authors of publication | Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L. |
Journal of publication | Chem. Sci. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 2 |
Pages of publication | 1404 |
a | 17.7069 ± 0.0004 Å |
b | 19.2391 ± 0.0003 Å |
c | 27.8205 ± 0.0006 Å |
α | 71.903 ± 0.002° |
β | 75.381 ± 0.002° |
γ | 69.249 ± 0.002° |
Cell volume | 8315.5 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 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 | 0.1159 |
Residual factor for significantly intense reflections | 0.0914 |
Weighted residual factors for significantly intense reflections | 0.2854 |
Weighted residual factors for all reflections included in the refinement | 0.3199 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1518368.html
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