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Information card for entry 7201783
Preview
| Coordinates | 7201783.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C199 H224 N8 O16 |
|---|---|
| Calculated formula | C198.99 H222.9 N8 O15.96 |
| Title of publication | Guest-induced topological polymorphism of pseudo-cubic hydrogen bond networks—robust and adaptable supramolecular synthon |
| Authors of publication | Yuge, Tetsuharu; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu |
| Journal of publication | CrystEngComm |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 3 |
| Pages of publication | 263 |
| a | 20.7677 ± 0.0006 Å |
| b | 20.7677 ± 0.0006 Å |
| c | 70.979 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 26511.7 ± 1.3 Å3 |
| Cell temperature | 213.1 K |
| Number of distinct elements | 4 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for significantly intense reflections | 0.1395 |
| Weighted residual factors for all reflections included in the refinement | 0.3228 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.9 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7201783.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201783.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201783.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7201783.cif |
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Users of the data should acknowledge the original authors of the
structural data.