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Information card for entry 4508488
Preview
Coordinates | 4508488.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C196 H196 N20 O12 |
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Calculated formula | C195.5 H156 N20 O10 |
Title of publication | Shape Prediction for Supramolecular Organic Nanostructures: [4 + 4] Macrocyclic Tetrapods |
Authors of publication | Briggs, Michael E.; Jelfs, Kim E.; Chong, Samantha Y.; Lester, Catherine; Schmidtmann, Marc; Adams, Dave J.; Cooper, Andrew I. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 11 |
Pages of publication | 4993 |
a | 25.5517 ± 0.0015 Å |
b | 12.7178 ± 0.0007 Å |
c | 26.1062 ± 0.0015 Å |
α | 90° |
β | 93.196 ± 0.002° |
γ | 90° |
Cell volume | 8470.3 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.1181 |
Residual factor for significantly intense reflections | 0.086 |
Weighted residual factors for significantly intense reflections | 0.2275 |
Weighted residual factors for all reflections included in the refinement | 0.2517 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
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/4508488.html
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Users of the data should acknowledge the original authors of the
structural data.