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Information card for entry 1551658
Preview
| Coordinates | 1551658.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H11 N O2 |
|---|---|
| Calculated formula | C11 H11 N O2 |
| Title of publication | Crystal Structure of 7-(Dimethylamino)-2<i>H</i>-1-benzopyran-2-one |
| Authors of publication | KUBO, Kanji; MATSUMOTO, Taisuke; TAKECHI, Haruko |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2014 |
| Journal volume | 30 |
| Journal issue | 0 |
| Pages of publication | 23 |
| a | 6.6013 ± 0.0017 Å |
| b | 7.4333 ± 0.0016 Å |
| c | 20.317 ± 0.005 Å |
| α | 79.893 ± 0.015° |
| β | 89.616 ± 0.017° |
| γ | 66.704 ± 0.016° |
| Cell volume | 899.3 ± 0.4 Å3 |
| Cell temperature | 113 K |
| Ambient diffraction temperature | 113 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 | 0.0508 |
| Weighted residual factors for all reflections included in the refinement | 0.1461 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.188 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216269 (current) | 2019-06-20 | cif/ Adding structures of 1551658 via cif-deposit CGI script. |
1551658.cif |
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