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Information card for entry 4029167
Preview
Coordinates | 4029167.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C90 H84 K2 N20 O51 P |
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Calculated formula | C90 H84 K2.02 N20 O51 P |
Title of publication | A C3v-Symmetric Tripodal Urea Receptor for Anions and Ion Pairs: Formation of Dimeric Capsular Assemblies of the Receptor during Anion and Ion Pair Coordination. |
Authors of publication | Basu, Arghya; Das, Gopal |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 6 |
Pages of publication | 2647 - 2656 |
a | 17.3549 ± 0.0009 Å |
b | 17.3549 ± 0.0009 Å |
c | 22.6324 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 5903.4 ± 0.5 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 163 |
Hermann-Mauguin space group symbol | P -3 1 c |
Hall space group symbol | -P 3 2c |
Residual factor for all reflections | 0.1706 |
Residual factor for significantly intense reflections | 0.0966 |
Weighted residual factors for significantly intense reflections | 0.274 |
Weighted residual factors for all reflections included in the refinement | 0.3437 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4029167.html
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Users of the data should acknowledge the original authors of the
structural data.