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Information card for entry 1518461
Preview
| Coordinates | 1518461.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H21 Cl2 N O4 |
|---|---|
| Calculated formula | C24 H21 Cl2 N O4 |
| SMILES | Clc1cc2[C@@]3([C@@H]([C@](C[C@@H]3C=C)(C(=O)O)C(=O)OC)c3ccc(Cl)cc3)C(=Nc2cc1)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 | 21.3083 ± 0.0015 Å |
| b | 16.6395 ± 0.0006 Å |
| c | 17.8923 ± 0.0007 Å |
| α | 90° |
| β | 118.967 ± 0.004° |
| γ | 90° |
| Cell volume | 5550.3 ± 0.5 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0845 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.1342 |
| Weighted residual factors for all reflections included in the refinement | 0.1464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518461.cif |
| 176729 | 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. |
1518461.cif |
| 130826 | 2015-02-04 | cif/ Updating files of 1518458, 1518459, 1518460, 1518461 Original log message: Adding full bibliography for 1518458--1518461.cif. |
1518461.cif |
| 128987 | 2014-12-21 | cif/ Adding structures of 1518461 via cif-deposit CGI script. |
1518461.cif |
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