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Information card for entry 8105560
Preview
| Coordinates | 8105560.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H20 O6 |
|---|---|
| Calculated formula | C26 H20 O6 |
| SMILES | O=C(OC)c1cc(C(=O)OC)cc(c2c3c(c(c4c2cccc4)C(=O)OC)cccc3)c1 |
| Title of publication | Crystal structure of dimethyl 5-(10-(methoxycarbonyl)anthracen-9-yl) isophthalate,C26H20O6 |
| Authors of publication | Huang, Xiang; Shi, Da-Bin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 234 |
| Journal issue | 1 |
| Pages of publication | 115 - 117 |
| a | 14.458 ± 0.002 Å |
| b | 9.4176 ± 0.0018 Å |
| c | 16.914 ± 0.003 Å |
| α | 90° |
| β | 113.429 ± 0.005° |
| γ | 90° |
| Cell volume | 2113.1 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.1507 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.158 |
| Weighted residual factors for all reflections included in the refinement | 0.1935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276390 (current) | 2022-06-29 | cif/ Adding structures of 8105560 via cif-deposit CGI script. |
8105560.cif |
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Users of the data should acknowledge the original authors of the
structural data.