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Information card for entry 7059016
Preview
| Coordinates | 7059016.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11.98 H15.55 O3 Se |
|---|---|
| Calculated formula | C11.982 H15.548 O3 Se |
| Title of publication | A novel methodology for the synthesis of condensed selenium heterocycles based on the annulation and annulation − methoxylation reactions of selenium dihalides |
| Authors of publication | Musalov, Maxim V.; Yakimov, Vladimir A.; Potapov, Vladimir A.; Amosova, Svetlana V.; Borodina, Tatiana; Zinchenko, Sergey V. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| a | 12.3669 ± 0.0006 Å |
| b | 6.1164 ± 0.0003 Å |
| c | 15.6194 ± 0.0007 Å |
| α | 90° |
| β | 91.018 ± 0.002° |
| γ | 90° |
| Cell volume | 1181.28 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0321 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0723 |
| Weighted residual factors for all reflections included in the refinement | 0.0734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223443 (current) | 2019-11-07 | cif/ Adding structures of 7059015, 7059016 via cif-deposit CGI script. |
7059016.cif |
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