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Information card for entry 2200191
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| Coordinates | 2200191.cif |
|---|---|
| Structure factors | 2200191.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diethyl 2-(acridin-9-ylmethylene)malonate |
|---|---|
| Formula | C21 H19 N O4 |
| Calculated formula | C21 H19 N O4 |
| SMILES | c1(c2ccccc2nc2ccccc12)/C=C(\C(=O)OCC)C(=O)OCC |
| Title of publication | Diethyl 2-(acridin-9-ylmethylene)malonate |
| Authors of publication | Senhaji, Fatima-Zahra; El-Bali, Brahim; Kerbal, Abdelali; Tajdine, Janati; Bitit, Najib; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 3 |
| Pages of publication | o298 - o299 |
| a | 9.8535 ± 0.0007 Å |
| b | 14.888 ± 0.001 Å |
| c | 12.5317 ± 0.0008 Å |
| α | 90° |
| β | 108.805 ± 0.005° |
| γ | 90° |
| Cell volume | 1740.3 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0402 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for all reflections included in the refinement | 0.0863 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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