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Information card for entry 1508868
Preview
| Coordinates | 1508868.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H29 N O6 |
|---|---|
| Calculated formula | C29 H29 N O6 |
| SMILES | O1N2O[C@@H](C[C@@H](c3ccccc3)[C@@H]2C(C(=O)OC)(C[C@H]1c1ccccc1)C(=O)OC)c1ccccc1.O1N2O[C@H](C[C@H](c3ccccc3)[C@H]2C(C(=O)OC)(C[C@@H]1c1ccccc1)C(=O)OC)c1ccccc1 |
| Title of publication | Six-membered cyclic nitronates as 1,3-dipoles in formal [3 + 3]-cycloaddition with donor-acceptor cyclopropanes. Synthesis of new type of bicyclic nitrosoacetals. |
| Authors of publication | Gorbacheva, Evgenia O.; Tabolin, Andrey A.; Novikov, Roman A.; Khomutova, Yulia A.; Nelyubina, Yulia V.; Tomilov, Yury V.; Ioffe, Sema L. |
| Journal of publication | Organic letters |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 2 |
| Pages of publication | 350 - 353 |
| a | 9.4038 ± 0.0004 Å |
| b | 10.7199 ± 0.0005 Å |
| c | 24.4225 ± 0.0011 Å |
| α | 90° |
| β | 99.093 ± 0.001° |
| γ | 90° |
| Cell volume | 2431.04 ± 0.19 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 | 0.0631 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.1115 |
| Weighted residual factors for all reflections included in the refinement | 0.1231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508868.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508868.cif |
| 74018 | 2013-02-21 | cif/ Adding structures of 1508868 via cif-deposit CGI script. |
1508868.cif |
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Users of the data should acknowledge the original authors of the
structural data.