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Information card for entry 8104751
Preview
| Coordinates | 8104751.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H14 F N O2 |
|---|---|
| Calculated formula | C17 H14 F N O2 |
| SMILES | C1(=O)/C(=C/c2c(nccc2)OC)CCc2ccc(cc12)F |
| Title of publication | Crystal structure of (E)-2-((2-methoxy-3-pyridyl)methylene)-7-fluoro-3,4-dihydronaphthalen-1(2H)-one, C17H14FNO2 |
| Authors of publication | Zhang, Xiao-Fan; Meng, Qing-Guo |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 3 |
| Pages of publication | 507 - 509 |
| a | 14.0279 ± 0.0013 Å |
| b | 7.0527 ± 0.0005 Å |
| c | 14.415 ± 0.0016 Å |
| α | 90° |
| β | 113.165 ± 0.012° |
| γ | 90° |
| Cell volume | 1311.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 0.3 K |
| Ambient diffraction temperature | 100 ± 0.3 K |
| Number of distinct elements | 5 |
| 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 | 0.0703 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1236 |
| Weighted residual factors for all reflections included in the refinement | 0.1358 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273662 (current) | 2022-03-11 | cif/ Adding structures of 8104751 via cif-deposit CGI script. |
8104751.cif |
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Users of the data should acknowledge the original authors of the
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