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Information card for entry 1551552
Preview
| Coordinates | 1551552.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 N2 O3 |
|---|---|
| Calculated formula | C16 H16 N2 O3 |
| SMILES | o1c(=O)c(cc2ccc(N(CC)CC)cc12)c1occn1 |
| Title of publication | Crystal Structure of 7-(Diethylamino)-3-(2-oxazolyl)coumarin |
| Authors of publication | KUBO, Kanji; MATSUMOTO, Taisuke; TAKECHI, Haruko |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2018 |
| Journal volume | 34 |
| Journal issue | 0 |
| Pages of publication | 3 |
| a | 19.168 ± 0.005 Å |
| b | 13.233 ± 0.003 Å |
| c | 13.141 ± 0.003 Å |
| α | 90° |
| β | 121.662 ± 0.0009° |
| γ | 90° |
| Cell volume | 2837.1 ± 1.2 Å3 |
| Cell temperature | 123.1 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for all reflections included in the refinement | 0.1797 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.198 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216162 (current) | 2019-06-20 | cif/ Adding structures of 1551552 via cif-deposit CGI script. |
1551552.cif |
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