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Information card for entry 1514135
Preview
| Coordinates | 1514135.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H26 Al F15 N2 |
|---|---|
| Calculated formula | C40 H26 Al F15 N2 |
| SMILES | [Al](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(Cc1n(c2c(C)cc(cc2C)C)cc[n+]1c1c(C)cc(cc1C)C)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 | 10.2014 ± 0.0006 Å |
| b | 17.3415 ± 0.0011 Å |
| c | 20.5293 ± 0.0011 Å |
| α | 90° |
| β | 96.982 ± 0.005° |
| γ | 90° |
| Cell volume | 3604.9 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.2083 |
| Residual factor for significantly intense reflections | 0.0744 |
| Weighted residual factors for significantly intense reflections | 0.1458 |
| Weighted residual factors for all reflections included in the refinement | 0.196 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
| 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. |
1514135.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. |
1514135.cif |
| 108238 | 2014-03-29 | cif/ Adding structures of 1514135 via cif-deposit CGI script. |
1514135.cif |
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