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Information card for entry 4105750
Preview
Coordinates | 4105750.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C285.5 H373 Cl27 N16 O36.5 |
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Calculated formula | C285.5 H373 Cl27 N16 O36.5 |
Title of publication | Thermodynamically Controlled Synthesis of a Chiral Tetra-cavitand Nanocapsule and Mechanism of Enantiomerization. |
Authors of publication | Junling Sun; James L. Bennett; Thomas J. Emge; Ralf Warmuth |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 3268 - 3271 |
a | 19.4713 ± 0.0012 Å |
b | 21.8175 ± 0.0013 Å |
c | 38.491 ± 0.002 Å |
α | 77.593 ± 0.001° |
β | 87.137 ± 0.001° |
γ | 64.968 ± 0.001° |
Cell volume | 14454.2 ± 1.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.1671 |
Residual factor for significantly intense reflections | 0.124 |
Weighted residual factors for significantly intense reflections | 0.3483 |
Weighted residual factors for all reflections included in the refinement | 0.3855 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.435 |
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/4105750.html
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Users of the data should acknowledge the original authors of the
structural data.