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Information card for entry 8106997
Preview
| Coordinates | 8106997.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H17 I O7 |
|---|---|
| Calculated formula | C19 H17 I O7 |
| Title of publication | Crystal structure of 3-iodo-5-methoxy-7-(methoxymethoxy)-4-(3-methoxyphenoxy)-2H-chromen-2-one, C19H17IO7 |
| Authors of publication | Wang, Shuang-Yan; Wei, Qun |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 755 - 757 |
| a | 9.2343 ± 0.0019 Å |
| b | 10.218 ± 0.002 Å |
| c | 10.4199 ± 0.0018 Å |
| α | 72.629 ± 0.008° |
| β | 74.494 ± 0.007° |
| γ | 86.61 ± 0.009° |
| Cell volume | 904 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.0338 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0644 |
| Weighted residual factors for all reflections included in the refinement | 0.067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282204 (current) | 2023-04-03 | cif/ Adding structures of 8106997 via cif-deposit CGI script. |
8106997.cif |
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Users of the data should acknowledge the original authors of the
structural data.