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Information card for entry 4087392
Preview
| Coordinates | 4087392.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H20 N2 |
|---|---|
| Calculated formula | C19 H20 N2 |
| SMILES | N(c1cccc2c1nc(cc2)C)c1c(cc(cc1C)C)C |
| Title of publication | Development of Improved Amidoquinoline Polyolefin Catalysts with Ultrahigh Molecular Weight Capacity |
| Authors of publication | Fontaine, Philip P.; Ueligger, Steve; Klosin, Jerzy; Hazari, Amaruka; Daller, Joe; Hou, Jianbo |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 7 |
| Pages of publication | 1354 |
| a | 7.1032 ± 0.0002 Å |
| b | 8.6182 ± 0.0002 Å |
| c | 12.4141 ± 0.0004 Å |
| α | 98.911 ± 0.002° |
| β | 90.099 ± 0.002° |
| γ | 91.834 ± 0.002° |
| Cell volume | 750.38 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0544 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1154 |
| Weighted residual factors for all reflections included in the refinement | 0.1226 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4087392.cif |
| 236770 | 2019-11-24 | cif/ Adding structures of 4087392, 4087393, 4087394, 4087395, 4087396 via cif-deposit CGI script. |
4087392.cif |
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Users of the data should acknowledge the original authors of the
structural data.