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Information card for entry 1502314
Preview
Coordinates | 1502314.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C85 H149 I N25 O17 |
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Calculated formula | C84.9999 H149 I N25 O17 |
Title of publication | Bambus[n]urils: a new family of macrocyclic anion receptors. |
Authors of publication | Havel, Vaclav; Svec, Jan; Wimmerova, Michaela; Dusek, Michal; Pojarova, Michaela; Sindelar, Vladimir |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 15 |
Pages of publication | 4000 - 4003 |
a | 13.2454 Å |
b | 13.5102 Å |
c | 29.984 Å |
α | 85.77° |
β | 83.333° |
γ | 66.044° |
Cell volume | 4868.12 Å3 |
Cell temperature | 119.9 K |
Ambient diffraction temperature | 119.9 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 | 0.1873 |
Residual factor for significantly intense reflections | 0.1504 |
Weighted residual factors for significantly intense reflections | 0.1838 |
Weighted residual factors for all reflections included in the refinement | 0.1876 |
Goodness-of-fit parameter for significantly intense reflections | 5.22 |
Goodness-of-fit parameter for all reflections included in the refinement | 4.42 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1502314.html
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Users of the data should acknowledge the original authors of the
structural data.