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Information card for entry 8104840
Preview
| Coordinates | 8104840.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H17 N O3 |
|---|---|
| Calculated formula | C18 H17 N O3 |
| SMILES | C1(=O)/C(=C/c2cncc(c2)OC)CCc2ccc(cc12)OC |
| Title of publication | Crystal structure of (E)-7-methoxy-2-((5-methoxypyridin-3-yl)methylene)-3,4- dihydronaphthalen-1(2H)-one, C18H17NO3 |
| Authors of publication | Luan, Ming-Zhu; Meng, Qing-Guo |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 2 |
| Pages of publication | 387 - 389 |
| a | 7.395 ± 0.0005 Å |
| b | 8.6697 ± 0.0005 Å |
| c | 11.6813 ± 0.0009 Å |
| α | 85.457 ± 0.006° |
| β | 76.712 ± 0.006° |
| γ | 82.759 ± 0.005° |
| Cell volume | 722.07 ± 0.09 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 | 0.061 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1218 |
| Weighted residual factors for all reflections included in the refinement | 0.1342 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273923 (current) | 2022-03-23 | cif/ Adding structures of 8104840 via cif-deposit CGI script. |
8104840.cif |
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Users of the data should acknowledge the original authors of the
structural data.