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Information card for entry 4105083
Preview
| Coordinates | 4105083.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C51 H71 N O11 |
|---|---|
| Calculated formula | C51 H71 N O11 |
| Title of publication | Switching and Extension of a [c2]Daisy-Chain Dimer Polymer |
| Authors of publication | Paul G. Clark; Michael W. Day; Robert H. Grubbs |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 13631 - 13633 |
| a | 32.5892 ± 0.0012 Å |
| b | 15.3988 ± 0.0006 Å |
| c | 28.4571 ± 0.001 Å |
| α | 90° |
| β | 124.734 ± 0.003° |
| γ | 90° |
| Cell volume | 11736 ± 0.9 Å3 |
| Cell temperature | 325 ± 2 K |
| Ambient diffraction temperature | 325 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1521 |
| Residual factor for significantly intense reflections | 0.1087 |
| Weighted residual factors for significantly intense reflections | 0.1987 |
| Weighted residual factors for all reflections included in the refinement | 0.2031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.758 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4105083.cif |
| 211332 | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4105083.cif |
| 178796 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/50. |
4105083.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105083.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105083.cif |
| 30262 | 2011-11-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4105083 via cif-deposit CGI script. |
4105083.cif |
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Users of the data should acknowledge the original authors of the
structural data.