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Information card for entry 8106375
Preview
| Coordinates | 8106375.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H21 N O5 |
|---|---|
| Calculated formula | C20 H21 N O5 |
| SMILES | NC1=C(C(=O)OCC)C(c2c(O1)cc(oc2=O)C)c1ccc(c(c1)C)C |
| Title of publication | Crystal structure of ethyl 2-amino-4-(3,4-dimethylphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carboxylate, C20H21NO5 |
| Authors of publication | Yan, Gao |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 6 |
| Pages of publication | 997 - 998 |
| a | 15.114 ± 0.002 Å |
| b | 17.574 ± 0.003 Å |
| c | 14.123 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3751.3 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.1095 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.1911 |
| Weighted residual factors for all reflections included in the refinement | 0.213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279821 (current) | 2022-12-09 | cif/ Adding structures of 8106375 via cif-deposit CGI script. |
8106375.cif |
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Users of the data should acknowledge the original authors of the
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