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Information card for entry 1555306
Preview
| Coordinates | 1555306.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 N2 O4 |
|---|---|
| Calculated formula | C18 H18 N2 O4 |
| SMILES | O1c2c(n[nH]c2C(=O)OCC)C(=O)C=C1c1ccc(cc1)CCC |
| Title of publication | Synthesis of Pyrano[3,2-c]pyrazol-7(1H)-one Derivatives by Tandem Cyclization of 2-Diazo-3,5-dioxo-6-ynoates (Ynones). |
| Authors of publication | Deng, Guisheng; Wang, Feng; Lu, Shengle; Cheng, Bo |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 19 |
| Pages of publication | 4651 - 4653 |
| a | 11.3073 ± 0.0003 Å |
| b | 12.3863 ± 0.0002 Å |
| c | 11.762 ± 0.0002 Å |
| α | 90° |
| β | 103.475 ± 0.002° |
| γ | 90° |
| Cell volume | 1601.99 ± 0.06 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0524 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1377 |
| Weighted residual factors for all reflections included in the refinement | 0.1433 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238453 (current) | 2019-11-24 | cif/ Adding structures of 1555306 via cif-deposit CGI script. |
1555306.cif |
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Users of the data should acknowledge the original authors of the
structural data.