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Information card for entry 1505136
Preview
| Coordinates | 1505136.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H43 N O3 |
|---|---|
| Calculated formula | C35 H43 N O3 |
| SMILES | N(OC(COC(=O)c1ccccc1)c1ccccc1)(C12CC3CC(CC(C1)C3)C2)C12CC3CC(CC(C1)C3)C2 |
| Title of publication | Synthesis and Evaluation of Sterically Hindered 1,1-Diadamantyl Nitroxide as a Low-Temperature Mediator for the Stable Free Radical Polymerization Process |
| Authors of publication | Debuigne, Antoine; Chan-Seng, Delphine; Li, Lichun; Hamer, Gordon K.; Georges, Michael K. |
| Journal of publication | Macromolecules |
| Year of publication | 2007 |
| Journal volume | 40 |
| Journal issue | 17 |
| Pages of publication | 6224 |
| a | 6.3916 ± 0.0003 Å |
| b | 14.6153 ± 0.0009 Å |
| c | 15.2826 ± 0.0008 Å |
| α | 75.722 ± 0.003° |
| β | 84.056 ± 0.003° |
| γ | 84.58 ± 0.003° |
| Cell volume | 1372.57 ± 0.13 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1034 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1219 |
| Weighted residual factors for all reflections included in the refinement | 0.1435 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1505136.cif |
| 198632 | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
1505136.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505136.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505136.cif |
| 45375 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505136 via cif-deposit CGI script. |
1505136.cif |
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Users of the data should acknowledge the original authors of the
structural data.