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Information card for entry 1530387
Preview
| Coordinates | 1530387.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H59 N O4 Si2 |
|---|---|
| Calculated formula | C32 H59 N O4 Si2 |
| SMILES | [Si](CCCC(NC(=O)OCc1ccccc1)(C(=O)OC(C)(C)C)CCC[Si](CC)(CC)CC)(CC)(CC)CC |
| Title of publication | Access to α,α-Disubstituted Disilylated Amino Acids and Their Use in Solid-Phase Peptide Synthesis. |
| Authors of publication | Fanelli, Roberto; Salah, Khoubaib Ben Haj; Inguimbert, Nicolas; Didierjean, Claude; Martinez, Jean; Cavelier, Florine |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 18 |
| Pages of publication | 4498 - 4501 |
| a | 16.472 ± 0.002 Å |
| b | 18.563 ± 0.0004 Å |
| c | 11.996 ± 0.002 Å |
| α | 90° |
| β | 92.581 ± 0.01° |
| γ | 90° |
| Cell volume | 3664.3 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.091 |
| Residual factor for significantly intense reflections | 0.0711 |
| Weighted residual factors for significantly intense reflections | 0.1853 |
| Weighted residual factors for all reflections included in the refinement | 0.2092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301778 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/53 Each referenced PubChem compound corresponds to the full crystal structure. |
1530387.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1530387.cif |
| 160560 | 2015-10-06 | cif/ Updating files of 1530387 Original log message: Adding full bibliography for 1530387.cif. |
1530387.cif |
| 155474 | 2015-09-09 | cif/ Adding structures of 1530387 via cif-deposit CGI script. |
1530387.cif |
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