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Information card for entry 1501896
Preview
| Coordinates | 1501896.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H30 N2 O8 |
|---|---|
| Calculated formula | C36 H30 N2 O8 |
| SMILES | O=N(=O)c1ccc(cc1)C(=O)[C@@H]1[C@@H]([C@H]([C@H]([C@@H]1c1ccccc1)C(=O)c1ccc(N(=O)=O)cc1)C(=C)C(=O)OCC)c1ccccc1.O=N(=O)c1ccc(cc1)C(=O)[C@H]1[C@H]([C@@H]([C@@H]([C@H]1c1ccccc1)C(=O)c1ccc(N(=O)=O)cc1)C(=C)C(=O)OCC)c1ccccc1 |
| Title of publication | Phosphine-catalyzed cascade [3 + 2] cyclization-allylic alkylation, [2 + 2 + 1] annulation, and [3 + 2] cyclization reactions between allylic carbonates and enones. |
| Authors of publication | Zhou, Rong; Wang, Jianfang; Song, Haibin; He, Zhengjie |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 4 |
| Pages of publication | 580 - 583 |
| a | 11.6425 ± 0.0019 Å |
| b | 22.489 ± 0.004 Å |
| c | 11.6436 ± 0.0018 Å |
| α | 90° |
| β | 93.811 ± 0.004° |
| γ | 90° |
| Cell volume | 3041.9 ± 0.9 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.0441 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0932 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| 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. |
1501896.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501896.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501896.cif |
| 35238 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501896 via cif-deposit CGI script. |
1501896.cif |
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