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Information card for entry 1506154
Preview
| Coordinates | 1506154.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C27 H29 N O2 Si |
|---|---|
| Calculated formula | C27 H29 N O2 Si |
| SMILES | c1(cc2ccccc2cc1)[C@@H](C)NC(=O)[C@H](O)C(=C\C#Cc1ccccc1)\[Si](C)(C)C |
| Title of publication | Alpha-hydroxy esters via enantioselective hydrogen-mediated C-C coupling: regiocontrolled reactions of silyl-substituted 1,3-diynes. |
| Authors of publication | Cho, Chang-Woo; Krische, Michael J. |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 17 |
| Pages of publication | 3873 - 3876 |
| a | 6.0952 ± 0.0003 Å |
| b | 16.8339 ± 0.0008 Å |
| c | 11.9653 ± 0.0006 Å |
| α | 90° |
| β | 96.885 ± 0.002° |
| γ | 90° |
| Cell volume | 1218.86 ± 0.1 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.0572 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0784 |
| Weighted residual factors for all reflections included in the refinement | 0.0859 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1506154.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506154.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. |
1506154.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506154.cif |
| 48042 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506154 via cif-deposit CGI script. |
1506154.cif |
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Users of the data should acknowledge the original authors of the
structural data.