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Information card for entry 4105335
Preview
| Coordinates | 4105335.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H68 N3 O2 Si2 Y |
|---|---|
| Calculated formula | C38 H68 N3 O2 Si2 Y |
| SMILES | [Y]123(N([SiH](C)C)[SiH](C)C)[N](C)(CC[N]1(C)Cc1c(O2)c(C(C)(C)C)cc(c1)C(C)(C)C)Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C |
| 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 | 10.0543 ± 0.0003 Å |
| b | 26.7727 ± 0.0008 Å |
| c | 16.572 ± 0.0005 Å |
| α | 90° |
| β | 103.799 ± 0.001° |
| γ | 90° |
| Cell volume | 4332.1 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0653 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0901 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178799 (current) | 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. |
4105335.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105335.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105335.cif |
| 30530 | 2011-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4105335 via cif-deposit CGI script. |
4105335.cif |
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Users of the data should acknowledge the original authors of the
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