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Information card for entry 1502245
Preview
| Coordinates | 1502245.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H24 N2 O7 W |
|---|---|
| Calculated formula | C32 H24 N2 O7 W |
| SMILES | [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)C1=C(N2N([C@@H]1c1ccccc1)[C@H](CC2=O)c1ccccc1)c1ccccc1.[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)C1=C(N2N([C@H]1c1ccccc1)[C@@H](CC2=O)c1ccccc1)c1ccccc1 |
| Title of publication | Highly regioselective [3 + 2] annulation of azomethine imines with 1-alkynyl Fischer carbene complexes to functionalized N,N-bicyclic pyrazolidin-3-ones. |
| Authors of publication | Luo, Ning; Zheng, Zhaoyan; Yu, Zhengkun |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 13 |
| Pages of publication | 3384 - 3387 |
| a | 10.0314 ± 0.0008 Å |
| b | 10.7337 ± 0.0009 Å |
| c | 14.5403 ± 0.0012 Å |
| α | 77.379 ± 0.001° |
| β | 77.553 ± 0.001° |
| γ | 84.994 ± 0.001° |
| Cell volume | 1490.5 ± 0.2 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 | 0.0466 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0918 |
| Weighted residual factors for all reflections included in the refinement | 0.0944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
| 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. |
1502245.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502245.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502245.cif |
| 35552 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502245 via cif-deposit CGI script. |
1502245.cif |
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Users of the data should acknowledge the original authors of the
structural data.