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Information card for entry 8106328
Preview
| Coordinates | 8106328.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H14 O3 |
|---|---|
| Calculated formula | C18 H14 O3 |
| SMILES | o1c(c2ccc(O)cc2)c(C=O)c2cc(ccc12)/C=C/C |
| Title of publication | The crystal structure of (E)-2-(4-hydroxyphenyl)-5-(prop-1-en-1-yl)benzofuran-3-carbaldehyde, C18H14O3 |
| Authors of publication | Luo, Guoyong; Yang, Wude; Lang, Tianqiong; Zhao, Chenliang; Zhang, Jingjie |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 5 |
| Pages of publication | 873 - 874 |
| a | 11.115 ± 0.004 Å |
| b | 6.878 ± 0.003 Å |
| c | 18.024 ± 0.007 Å |
| α | 90° |
| β | 99.964 ± 0.008° |
| γ | 90° |
| Cell volume | 1357.1 ± 0.9 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.109 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1613 |
| Weighted residual factors for all reflections included in the refinement | 0.1892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279704 (current) | 2022-12-05 | cif/ Adding structures of 8106328 via cif-deposit CGI script. |
8106328.cif |
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Users of the data should acknowledge the original authors of the
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