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Information card for entry 2009021
Preview
| Coordinates | 2009021.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 6,7,8,9-Tetrahydro-3-methyl-1H-pyrano[4,3-b]quinoline-1-one |
|---|---|
| Formula | C13 H13 N O2 |
| Calculated formula | C13 H13 N O2 |
| SMILES | c1(=O)oc(cc2nc3CCCCc3cc12)C |
| Title of publication | 6,7,8,9-Tetrahydro-3-methyl-1<i>H</i>-pyrano[4,3-<i>b</i>]quinolin-1-one |
| Authors of publication | Hua, Duy H.; Chen, Yi; Sin, Hong-Sig; Robinson, Paul D.; Meyers, Cal Y.; Perchellet, Elisabeth M.; Perchellet, Jean-Pierre; Chiang, Peter K.; Biellmann, Jean-Francois |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 10 |
| Pages of publication | 1698 - 1701 |
| a | 7.6535 ± 0.0009 Å |
| b | 10.8255 ± 0.001 Å |
| c | 7.4067 ± 0.0009 Å |
| α | 92.436 ± 0.01° |
| β | 117.023 ± 0.008° |
| γ | 81.61 ± 0.009° |
| Cell volume | 540.62 ± 0.11 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 | 0.125 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections included in the refinement | 0.127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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