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Information card for entry 1518291
Preview
| Coordinates | 1518291.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H21 N3 O4 |
|---|---|
| Calculated formula | C26 H21 N3 O4 |
| SMILES | C1(=O)c2ccccc2C(=O)N1[C@@H]1C(=O)N([C@]2(C1)CCCC(=O)C2)c1cccc2c1nccc2.C1(=O)c2ccccc2C(=O)N1[C@H]1C(=O)N([C@@]2(C1)CCCC(=O)C2)c1cccc2c1nccc2 |
| Title of publication | Palladium-Catalyzed Stereoretentive Olefination of Unactivated C(sp(3))-H Bonds with Vinyl Iodides at Room Temperature: Synthesis of β-Vinyl α-Amino Acids. |
| Authors of publication | Wang, Bo; Lu, Chengxi; Zhang, Shu-Yu; He, Gang; Nack, William A.; Chen, Gong |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 23 |
| Pages of publication | 6260 |
| a | 15.44 ± 0.005 Å |
| b | 21.826 ± 0.007 Å |
| c | 13.714 ± 0.004 Å |
| α | 90° |
| β | 110.809 ± 0.006° |
| γ | 90° |
| Cell volume | 4320 ± 2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0903 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1421 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| 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. |
1518291.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. |
1518291.cif |
| 131542 | 2015-02-08 | cif/ Updating files of 1518290, 1518291 Original log message: Adding full bibliography for 1518290--1518291.cif. |
1518291.cif |
| 127762 | 2014-11-21 | cif/ Adding structures of 1518291 via cif-deposit CGI script. |
1518291.cif |
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