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Information card for entry 1505166
Preview
| Coordinates | 1505166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C22 H20 N2 O2 |
|---|---|
| Calculated formula | C22 H20 N2 O2 |
| SMILES | c12ccccc1n(c(n2)c1ccccc1OC)Cc1ccccc1OC |
| Title of publication | Efficient Route for Cyclic Olefin Polymerization: Nonchelated Monodentate Benzimidazole Nickel(II) Complex Catalysts for Vinyl Polymerization of Norbornene |
| Authors of publication | Tarte, Naresh H.; Cho, Hyun Yong; Woo, Seong Ihl |
| Journal of publication | Macromolecules |
| Year of publication | 2007 |
| Journal volume | 40 |
| Journal issue | 23 |
| Pages of publication | 8162 |
| a | 9.6638 ± 0.0002 Å |
| b | 10.4904 ± 0.0002 Å |
| c | 18.0444 ± 0.0003 Å |
| α | 90° |
| β | 91.062 ± 0.001° |
| γ | 90° |
| Cell volume | 1828.98 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0839 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1103 |
| Weighted residual factors for all reflections included in the refinement | 0.1296 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| 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. |
1505166.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1505166.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. |
1505166.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505166.cif |
| 45386 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505166 via cif-deposit CGI script. |
1505166.cif |
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Users of the data should acknowledge the original authors of the
structural data.