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Information card for entry 1567851
Preview
Coordinates | 1567851.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1-(2-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)ethyl)-1-(2-(1-(2-(1-(2-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)ethyl)-3-(4-methoxyphenyl)ureido)ethyl)-3-(4-methoxyphenyl)ureido)ethyl)-3-(4-methoxyphenyl)urea |
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Formula | C54 H56 F12 N12 O8 |
Calculated formula | C54 H56 F12 N12 O8 |
Title of publication | Supramolecular interactions between ethylene-bridged oligoureas: nanorings and chains formed by cooperative positive allostery |
Authors of publication | Tilly, David P.; Žabka, Matej; Vitorica-Yrzebal, Inigo; Sparkes, Hazel Anne; Pridmore, Natalie E.; Clayden, Jonathan |
Journal of publication | Chemical Science |
Year of publication | 2022 |
a | 11.6563 ± 0.0007 Å |
b | 15.0421 ± 0.0008 Å |
c | 17.5808 ± 0.0009 Å |
α | 71.522 ± 0.005° |
β | 75.149 ± 0.005° |
γ | 81.278 ± 0.005° |
Cell volume | 2817.6 ± 0.3 Å3 |
Cell temperature | 99.9 ± 0.4 K |
Ambient diffraction temperature | 99.9 ± 0.4 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1154 |
Residual factor for significantly intense reflections | 0.0676 |
Weighted residual factors for significantly intense reflections | 0.1059 |
Weighted residual factors for all reflections included in the refinement | 0.1267 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1567851.html
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