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Information card for entry 1514133
Preview
| Coordinates | 1514133.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H28 Al F15 N2 |
|---|---|
| Calculated formula | C37 H28 Al F15 N2 |
| SMILES | [Al](c1c(F)c(F)c(F)c(F)c1F)(Cc1n(c2c(C(C)C)cccc2C(C)C)cc[n+]1C(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
| Title of publication | Mechanistic Aspects of Initiation and Deactivation inN-Heterocyclic Olefin Mediated Polymerization of Acrylates with Alane as Activator |
| Authors of publication | Jia, Yin-Bao; Wang, Yan-Bo; Ren, Wei-Min; Xu, Tieqi; Wang, Jing; Lu, Xiao-Bing |
| Journal of publication | Macromolecules |
| Year of publication | 2014 |
| Journal volume | 47 |
| Journal issue | 6 |
| Pages of publication | 1966 |
| a | 9.8638 ± 0.0004 Å |
| b | 10.5358 ± 0.0005 Å |
| c | 18.0155 ± 0.0008 Å |
| α | 81.532 ± 0.003° |
| β | 77.639 ± 0.003° |
| γ | 84.01 ± 0.003° |
| Cell volume | 1803.74 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1238 |
| Residual factor for significantly intense reflections | 0.0604 |
| Weighted residual factors for significantly intense reflections | 0.1609 |
| Weighted residual factors for all reflections included in the refinement | 0.1932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' 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 700 files were changed. |
1514133.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. |
1514133.cif |
| 108236 | 2014-03-29 | cif/ Adding structures of 1514133 via cif-deposit CGI script. |
1514133.cif |
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