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Information card for entry 2242231
Preview
| Coordinates | 2242231.cif |
|---|---|
| Structure factors | 2242231.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | 2,3-Diethyl-5,12-bis(piperidin-1-yl)naphtho[2,3-<i>g</i>]quinoxaline-6,11-dione |
|---|---|
| Chemical name | 2,3-Diethyl-5,12-bis(piperidin-1-yl)naphtho[2,3-<i>g</i>]quinoxaline-6,11-dione |
| Formula | C30 H34 N4 O2 |
| Calculated formula | C30 H34 N4 O2 |
| SMILES | O=C1c2c(N3CCCCC3)c3nc(c(nc3c(N3CCCCC3)c2C(=O)c2c1cccc2)CC)CC |
| Title of publication | Crystal structures of two 2,3-diethylnaphtho[2,3-<i>g</i>]quinoxaline-6,11-dione derivatives |
| Authors of publication | Forsyth, Craig M.; Francis, Craig L. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 8 |
| Pages of publication | 1125 - 1129 |
| a | 11.6144 ± 0.0006 Å |
| b | 11.8249 ± 0.0005 Å |
| c | 19.0526 ± 0.0009 Å |
| α | 75.102 ± 0.002° |
| β | 77.31 ± 0.002° |
| γ | 83.321 ± 0.002° |
| Cell volume | 2462 ± 0.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0819 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.0967 |
| Weighted residual factors for all reflections included in the refinement | 0.113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242231.cif 2242231.hkl |
| 199195 | 2017-07-25 | cif/ hkl/ Adding structures of 2242230, 2242231 via cif-deposit CGI script. |
2242231.cif 2242231.hkl |
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Users of the data should acknowledge the original authors of the
structural data.