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Information card for entry 1551785
Preview
| Coordinates | 1551785.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H32 N2 |
|---|---|
| Calculated formula | C24 H32 N2 |
| SMILES | c1(CN(CC)CC)c2c(c(c3c1cccc3)CN(CC)CC)cccc2 |
| Title of publication | Crystal Structure of N,N,N′,N′-Tetraethyl-9,10-anthracenedimethanamine |
| Authors of publication | KUBO, Kanji; TAKAHASHI, Hajime; TAKECHI, Haruko; MORI, Akira |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2009 |
| Journal volume | 25 |
| Pages of publication | 99 |
| a | 9.185 ± 0.002 Å |
| b | 10.753 ± 0.002 Å |
| c | 9.742 ± 0.002 Å |
| α | 90° |
| β | 92.98 ± 0.014° |
| γ | 90° |
| Cell volume | 960.9 ± 0.3 Å3 |
| Cell temperature | 173.1 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for all reflections included in the refinement | 0.1924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551785.cif |
| 216397 | 2019-06-20 | cif/ Adding structures of 1551785 via cif-deposit CGI script. |
1551785.cif |
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Users of the data should acknowledge the original authors of the
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