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Information card for entry 8106259
Preview
| Coordinates | 8106259.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 12-Chloro-5,6,7,12-tetrahydrodibenzo[c,f][1,5]oxastibocine |
|---|---|
| Formula | C14 H12 Cl O Sb |
| Calculated formula | C14 H12 Cl O Sb |
| SMILES | [Sb]12(Cl)[O](Cc3c1cccc3)Cc1ccccc21 |
| Title of publication | Crystal structure of 12-chloro-5,6,7,12-tetrahydrodibenzo[c,f][1,5]oxastibocine, C14H12ClOSb |
| Authors of publication | Tan, Nianyuan; Lan, Donghui; Wu, Shuisheng; Au, Chak-Tong; Yi, Bing |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 679 - 681 |
| a | 9.3453 ± 0.0014 Å |
| b | 10.9826 ± 0.0016 Å |
| c | 13.303 ± 0.002 Å |
| α | 90.823 ± 0.003° |
| β | 90.394 ± 0.003° |
| γ | 108.307 ± 0.002° |
| Cell volume | 1296 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0744 |
| Residual factor for significantly intense reflections | 0.0587 |
| Weighted residual factors for significantly intense reflections | 0.1642 |
| Weighted residual factors for all reflections included in the refinement | 0.1767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279565 (current) | 2022-11-25 | cif/ Adding structures of 8106259 via cif-deposit CGI script. |
8106259.cif |
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Users of the data should acknowledge the original authors of the
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