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Information card for entry 8105224
Preview
| Coordinates | 8105224.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 Bi O3 |
|---|---|
| Calculated formula | C16 H15 Bi O3 |
| SMILES | [Bi]12([O](Cc3c1cccc3)Cc1c2cccc1)OC(=O)C |
| Title of publication | Crystal structure of 5H-dibenzo[c,f][1,5]oxabismocin-12 (7H)-yl acetate, C16H15O3Bi |
| Authors of publication | Tan, Nianyuan; Wu, Shuisheng; Lan, Donghui; Au, Chak-Tong; Yi, Bing |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 3 |
| Pages of publication | 579 - 581 |
| a | 17.277 ± 0.003 Å |
| b | 4.7288 ± 0.0008 Å |
| c | 17.776 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1452.3 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0327 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0661 |
| Weighted residual factors for all reflections included in the refinement | 0.0678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275337 (current) | 2022-05-11 | cif/ Adding structures of 8105224 via cif-deposit CGI script. |
8105224.cif |
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Users of the data should acknowledge the original authors of the
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