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Information card for entry 2012572
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| Coordinates | 2012572.cif |
|---|---|
| Structure factors | 2012572.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Methylphenyl 2-methoxyacridine-9-carboxylate |
|---|---|
| Formula | C22 H17 N O3 |
| Calculated formula | C22 H17 N O3 |
| SMILES | c1c(ccc2nc3ccccc3c(c12)C(=O)Oc1c(cccc1)C)OC |
| Title of publication | 2-Methylphenyl 2-methoxyacridine-9-carboxylate |
| Authors of publication | Meszko, Joanna; Krzymiński, Karol; Konitz, Antoni; Błażejowski, Jerzy |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 3 |
| Pages of publication | o157 - o158 |
| a | 13.393 ± 0.003 Å |
| b | 9.233 ± 0.002 Å |
| c | 14.162 ± 0.003 Å |
| α | 90° |
| β | 91.81 ± 0.03° |
| γ | 90° |
| Cell volume | 1750.4 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.096 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.129 |
| Weighted residual factors for all reflections included in the refinement | 0.153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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