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Information card for entry 2004794
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| Coordinates | 2004794.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C15 H11 N O2 |
|---|---|
| Calculated formula | C15 H11 N O2 |
| SMILES | Nc1ccc2c(c1)oc(=O)c(c2)c1ccccc1 |
| Title of publication | 7-Amino-3-phenylcoumarin |
| Authors of publication | Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 4 |
| Pages of publication | 899 - 901 |
| a | 9.648 ± 0.002 Å |
| b | 21.24 ± 0.01 Å |
| c | 5.925 ± 0.003 Å |
| α | 94.23 ± 0.04° |
| β | 106.93 ± 0.03° |
| γ | 86.66 ± 0.03° |
| Cell volume | 1157.5 ± 0.9 Å3 |
| Cell 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 | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Goodness-of-fit parameter for significantly intense reflections | 3.45 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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.