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Information card for entry 1507239
Preview
| Coordinates | 1507239.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | 2 |
|---|---|
| Chemical name | 1,1'-bis(1-methylbenzimidazol-2-yl) -1''-(methoxy)ethane |
| Formula | C19 H20 N4 O |
| Calculated formula | C19 H20 N4 O |
| SMILES | O(C(c1n(c2c(n1)cccc2)C)(c1n(c2c(n1)cccc2)C)C)C |
| Title of publication | Polymerization and Copolymerization of Olefins and Acrylates by Bis(benzimidazole) Copper Catalysts |
| Authors of publication | Stibrany, Robert T.; Schulz, Donald N.; Kacker, Smita; Patil, Abhimanyu O.; Baugh, Lisa S.; Rucker, Steven P.; Zushma, Stephen; Berluche, Enock; Sissano, Joseph A. |
| Journal of publication | Macromolecules |
| Year of publication | 2003 |
| Journal volume | 36 |
| Journal issue | 23 |
| Pages of publication | 8584 |
| a | 9.65 ± 0.0019 Å |
| b | 12.945 ± 0.003 Å |
| c | 13.57 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1695.2 ± 0.6 Å3 |
| Cell temperature | 297 ± 1 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0436 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.089 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 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. |
1507239.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. |
1507239.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507239.cif |
| 53764 | 2012-04-20 | cif/ Adding structures of 1507239, 1507240, 1507241, 1507242, 1507243, 1507244 via cif-deposit CGI script. |
1507239.cif |
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Users of the data should acknowledge the original authors of the
structural data.