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Information card for entry 1518460
Preview
| Coordinates | 1518460.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H25 N O4 |
|---|---|
| Calculated formula | C25 H25 N O4 |
| SMILES | O(C(=O)C1(C[C@@H]([C@@]2([C@@H]1c1ccccc1)c1ccccc1N=C2C)C=C)C(=O)OC)C.O(C(=O)C1(C[C@H]([C@]2([C@H]1c1ccccc1)c1ccccc1N=C2C)C=C)C(=O)OC)C |
| Title of publication | Palladium-catalyzed asymmetric cycloadditions of vinylcyclopropanes and in situ formed unsaturated imines: construction of structurally and optically enriched spiroindolenines. |
| Authors of publication | Liu, Ze-Shui; Li, Wen-Ke; Kang, Tai-Ran; He, Long; Liu, Quan-Zhong |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 1 |
| Pages of publication | 150 - 153 |
| a | 10.1067 ± 0.0002 Å |
| b | 11.5787 ± 0.0003 Å |
| c | 19.2079 ± 0.0005 Å |
| α | 83.811 ± 0.002° |
| β | 82.159 ± 0.002° |
| γ | 76.354 ± 0.002° |
| Cell volume | 2157.2 ± 0.09 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0436 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.1115 |
| Weighted residual factors for all reflections included in the refinement | 0.114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
1518460.cif |
| 130826 | 2015-02-04 | cif/ Updating files of 1518458, 1518459, 1518460, 1518461 Original log message: Adding full bibliography for 1518458--1518461.cif. |
1518460.cif |
| 128986 | 2014-12-21 | cif/ Adding structures of 1518460 via cif-deposit CGI script. |
1518460.cif |
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Users of the data should acknowledge the original authors of the
structural data.