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Information card for entry 2007054
Preview
| Coordinates | 2007054.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C13 H10 F3 N O2 |
|---|---|
| Calculated formula | C13 H10 F3 N O2 |
| SMILES | FC(F)(F)c1cc(=O)oc2cc3NCCCc3cc12 |
| Title of publication | 6,7,8,9-Tetrahydro-4-trifluoromethyl-2<i>H</i>-pyrano[3,2-<i>g</i>]quinolin-2-one, (I), and 6,7,8,9-Tetrahydro-9-ethyl-4-trifluoromethyl-2<i>H</i>-pyrano[3,2-<i>g</i>]quinolin-2-one, (II) |
| Authors of publication | Jasinski, Jerry P.; Jasinski, John M.; Li, Yu |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 3 |
| Pages of publication | 410 - 412 |
| a | 11.044 ± 0.002 Å |
| b | 11.809 ± 0.002 Å |
| c | 4.6958 ± 0.0007 Å |
| α | 92.74 ± 0.01° |
| β | 95.04 ± 0.01° |
| γ | 111.337 ± 0.01° |
| Cell volume | 566.13 ± 0.17 Å3 |
| Cell temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for all reflections | 0.107 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Goodness-of-fit parameter for all reflections | 1.03 |
| Goodness-of-fit parameter for significantly intense reflections | 1.09 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.