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Information card for entry 8000109
Preview
| Coordinates | 8000109.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H28 N2 |
|---|---|
| Calculated formula | C18 H28 N2 |
| Title of publication | Catalytic Ability of 9-Cyanophenanthrene in Oxidative Photodimerization of 2,5-Dimethyl-2,4-hexadiene |
| Authors of publication | Ohashi, Maki; Maeda, Hajime; Mizuno, Kazuhiko |
| Journal of publication | Chemistry Letters |
| Year of publication | 2006 |
| Journal volume | 35 |
| Journal issue | 5 |
| Pages of publication | 482 |
| a | 11.014 ± 0.009 Å |
| b | 6.651 ± 0.004 Å |
| c | 12.73 ± 0.012 Å |
| α | 90° |
| β | 97.37 ± 0.04° |
| γ | 90° |
| Cell volume | 924.8 ± 1.3 Å3 |
| Cell temperature | 296.1 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.0703 |
| Weighted residual factors for all reflections included in the refinement | 0.0682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.36 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8000109.cif |
| 176466 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8000109.cif |
| 94261 | 2014-01-22 | cif/ Adding structures of 8000109 via cif-deposit CGI script. |
8000109.cif |
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Users of the data should acknowledge the original authors of the
structural data.