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Information card for entry 2005232
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| Coordinates | 2005232.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 3,6-diaza-4,5-diethoxy-9,9-dimethyl-10-hydroxy-10-isopropyl-9,10- dihydroanthracene |
|---|---|
| Formula | C21 H28 N2 O3 |
| Calculated formula | C21 H28 N2 O3 |
| SMILES | OC1(c2c(OCC)nccc2C(c2ccnc(OCC)c12)(C)C)C(C)C |
| Title of publication | Unusual Hetarynic Condensation of 3-Bromo-2-ethoxypyridine with Diisopropyl Ketone Enolate in the Presence of a Complex Base |
| Authors of publication | Ianelli, S.; Nardelli, M.; Belletti, D.; Pasquier, K.; Caubère, P. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 8 |
| Pages of publication | 2097 - 2100 |
| a | 10.58 ± 0.001 Å |
| b | 13.784 ± 0.003 Å |
| c | 15.218 ± 0.003 Å |
| α | 66.59 ± 0.01° |
| β | 86.91 ± 0.03° |
| γ | 75.93 ± 0.01° |
| Cell volume | 1973.3 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 significantly intense reflections | 0.0527 |
| Weighted residual factors for all reflections | 0.1067 |
| Weighted residual factors for significantly intense reflections | 0.0643 |
| Goodness-of-fit parameter for all reflections | 0.965 |
| Goodness-of-fit parameter for significantly intense reflections | 1.524 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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