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Information card for entry 4320544
Preview
| Coordinates | 4320544.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | tetra-isocyanocalix[4]arene |
|---|---|
| Formula | C49 H56 N4 O5 |
| Calculated formula | C49 H56 N4 O5 |
| Title of publication | Upper-Rim Functionalization of Calix[4]arene by Chloro(isocyanide)gold(I) Groups: An Entry to Polymetallic Architecture |
| Authors of publication | Jonathan Gagnon; Marc Drouin; Pierre D. Harvey |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 6052 - 6056 |
| a | 14.9901 ± 0.001 Å |
| b | 14.4631 ± 0.001 Å |
| c | 21.1729 ± 0.001 Å |
| α | 90° |
| β | 95.589 ± 0.01° |
| γ | 90° |
| Cell volume | 4568.5 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0996 |
| Residual factor for significantly intense reflections | 0.0855 |
| Weighted residual factors for significantly intense reflections | 0.2575 |
| Weighted residual factors for all reflections included in the refinement | 0.2783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 1.5406 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4320544.cif |
| 288183 | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4320544.cif |
| 179308 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/05. |
4320544.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320544.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320544.cif |
| 17740 | 2011-04-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4320544 via cif-deposit CGI script. |
4320544.cif |
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Users of the data should acknowledge the original authors of the
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