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Information card for entry 8104656
Preview
| Coordinates | 8104656.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H17 N O3 |
|---|---|
| Calculated formula | C18 H17 N O3 |
| SMILES | C1(=O)/C(=C/c2cccc(n2)OC)CCc2ccc(cc12)OC |
| Title of publication | Crystal structure of (E)-7-methoxy-2-((6-methoxypyridin-2-yl)methylene)-tetralone, C18H17NO3 |
| Authors of publication | Wang, Lei; Meng, Qing-Guo; Hou, Gui-Ge |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 5 |
| Pages of publication | 1023 - 1025 |
| a | 4.0929 ± 0.0004 Å |
| b | 12.9527 ± 0.0011 Å |
| c | 14.4228 ± 0.0012 Å |
| α | 70.171 ± 0.008° |
| β | 87.229 ± 0.008° |
| γ | 87.567 ± 0.008° |
| Cell volume | 718.16 ± 0.12 Å3 |
| Cell temperature | 99.9 ± 0.3 K |
| Ambient diffraction temperature | 99.9 ± 0.3 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 all reflections | 0.0673 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1381 |
| Weighted residual factors for all reflections included in the refinement | 0.1526 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273484 (current) | 2022-03-07 | cif/ Adding structures of 8104656 via cif-deposit CGI script. |
8104656.cif |
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Users of the data should acknowledge the original authors of the
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