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Information card for entry 1567850
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Coordinates | 1567850.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3-phenyl-1,1-bis(2-(3-phenyl-1-(2-(3-phenylureido)ethyl)ureido)ethyl)urea |
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Formula | C43 H48 N10 O5 |
Calculated formula | C43 H48 N10 O5 |
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 | 12.8818 ± 0.0002 Å |
b | 7.7413 ± 0.0001 Å |
c | 40.5948 ± 0.0006 Å |
α | 90° |
β | 98.052 ± 0.002° |
γ | 90° |
Cell volume | 4008.28 ± 0.1 Å3 |
Cell temperature | 174.9 ± 0.3 K |
Ambient diffraction temperature | 174.9 ± 0.3 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0637 |
Residual factor for significantly intense reflections | 0.059 |
Weighted residual factors for significantly intense reflections | 0.1543 |
Weighted residual factors for all reflections included in the refinement | 0.1581 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1567850.html
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