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Information card for entry 4026193
Preview
| Coordinates | 4026193.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H6 O S4 |
|---|---|
| Calculated formula | C74 H6 O S4 |
| SMILES | C123C4(c5c6c7c1c1c8c2c2c9c4c4c5c5c%10c6c6c7c7c1c1c%11c8c8c2c2c9c9c4c4c5c5c%10c%10c6c6c7c1c1c7c%11c8c8c2c2c9c4c4c5c5c%10c6c1c1c7c8c2c4c51)C13C(=O)c2c3c1cccc3ccc2.C(=S)=S.C(=S)=S |
| Title of publication | Deoxygenation of Some α-Dicarbonyl Compounds by Tris(diethylamino)phosphine in the Presence of Fullerene C60 |
| Authors of publication | Irina P. Romanova; Andrey V. Bogdanov; Vladimir F. Mironov; Gulnara R. Shaikhutdinova; Olga A. Larionova; Shamil K. Latypov; Alsu A. Balandina; Dmitry G. Yakhvarov; Aidar T. Gubaidullin; Alina F. Saifina; Oleg G. Sinyashin |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2011 |
| Journal volume | 76 |
| Pages of publication | 2548 - 2557 |
| a | 13.491 ± 0.004 Å |
| b | 13.676 ± 0.004 Å |
| c | 21.937 ± 0.006 Å |
| α | 90° |
| β | 90.794 ± 0.004° |
| γ | 90° |
| Cell volume | 4047 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.368 |
| Residual factor for significantly intense reflections | 0.0826 |
| Weighted residual factors for significantly intense reflections | 0.1246 |
| Weighted residual factors for all reflections included in the refinement | 0.2354 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178440 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/61. |
4026193.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4026193.cif |
| 38543 | 2012-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 4026193 via cif-deposit CGI script. |
4026193.cif |
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