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Information card for entry 4105336
Preview
| Coordinates | 4105336.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C86 H150 N4 O6 Y2 |
|---|---|
| Calculated formula | C86 H150 N4 O6 Y2 |
| Title of publication | Polymerization of Enantiopure Monomers Using Syndiospecific Catalysts: A New Approach To Sequence Control in Polymer Synthesis |
| Authors of publication | John W. Kramer; Daniel S. Treitler; Erin W. Dunn; Pascal M. Castro; Thierry Roisnel; Christophe M. Thomas; Geoffrey W. Coates |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 16042 - 16044 |
| a | 9.9384 ± 0.0005 Å |
| b | 14.0259 ± 0.0009 Å |
| c | 16.6178 ± 0.0012 Å |
| α | 104.902 ± 0.003° |
| β | 98.051 ± 0.003° |
| γ | 100.395 ± 0.003° |
| Cell volume | 2159 ± 0.2 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 | 0.0924 |
| Residual factor for significantly intense reflections | 0.0574 |
| Weighted residual factors for significantly intense reflections | 0.1189 |
| Weighted residual factors for all reflections included in the refinement | 0.131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
4105336.cif |
| 178799 | 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 4/10/53. |
4105336.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105336.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105336.cif |
| 30531 | 2011-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4105336 via cif-deposit CGI script. |
4105336.cif |
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Users of the data should acknowledge the original authors of the
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