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Information card for entry 8106730
Preview
| Coordinates | 8106730.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H22 N2 O4 |
|---|---|
| Calculated formula | C26 H22 N2 O4 |
| SMILES | O(/N=C(\C)c1ccc(/N=C/c2c(O)ccc3c2oc(=O)cc3C)cc1)Cc1ccccc1 |
| Title of publication | Crystal structure of 8-((E)-((4-((E)-1-((benzyloxy)imino)ethyl)phenyl)imino)methyl)-7-hydroxy-4-methyl-2H-chromen-2-one, C26H22N2O4 |
| Authors of publication | Li, Jing; Jia, Hao-Ran; Sun, Yin-Xia |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 6 |
| Pages of publication | 943 - 945 |
| a | 8.035 ± 0.003 Å |
| b | 10.387 ± 0.004 Å |
| c | 13.126 ± 0.005 Å |
| α | 83.831 ± 0.01° |
| β | 78.214 ± 0.01° |
| γ | 81.47 ± 0.01° |
| Cell volume | 1057.2 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1048 |
| Residual factor for significantly intense reflections | 0.0663 |
| Weighted residual factors for significantly intense reflections | 0.1616 |
| Weighted residual factors for all reflections included in the refinement | 0.183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280833 (current) | 2023-02-09 | cif/ Adding structures of 8106730 via cif-deposit CGI script. |
8106730.cif |
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Users of the data should acknowledge the original authors of the
structural data.