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Information card for entry 8106286
Preview
| Coordinates | 8106286.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H18 N2 O6 |
|---|---|
| Calculated formula | C19 H18 N2 O6 |
| SMILES | O(C)c1c(OC)c(OC)cc(c1)C1c2c(=O)oc(cc2OC(=C1C#N)N)C |
| Title of publication | Crystal structure of 2-amino-4-(3,4,5-trimethoxy-phenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile, C19H18N2O6 |
| Authors of publication | He, Jing |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 5 |
| Pages of publication | 757 - 758 |
| a | 13.052 ± 0.008 Å |
| b | 10.091 ± 0.006 Å |
| c | 14.454 ± 0.009 Å |
| α | 90° |
| β | 114.446 ± 0.011° |
| γ | 90° |
| Cell volume | 1733 ± 1.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.0746 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1384 |
| Weighted residual factors for all reflections included in the refinement | 0.1518 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279607 (current) | 2022-11-28 | cif/ Adding structures of 8106286 via cif-deposit CGI script. |
8106286.cif |
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Users of the data should acknowledge the original authors of the
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