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Information card for entry 7153824
Preview
| Coordinates | 7153824.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 05263 |
|---|---|
| Formula | C22 H35 N O4 Si |
| Calculated formula | C22 H35 N O4 Si |
| SMILES | O1CCCC[C@@]1([C@@H](C=C)O[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1.O1CCCC[C@]1([C@H](C=C)O[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1 |
| Title of publication | An unusual stereoselectivity in the anomeric substitution with carbamates promoted by HNTf2. |
| Authors of publication | Ko, Changhong; Hsung, Richard P. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2007 |
| Journal volume | 5 |
| Journal issue | 3 |
| Pages of publication | 431 - 434 |
| a | 18.967 ± 0.003 Å |
| b | 12.7861 ± 0.0018 Å |
| c | 19.491 ± 0.003 Å |
| α | 90° |
| β | 96.878 ± 0.002° |
| γ | 90° |
| Cell volume | 4692.8 ± 1.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1338 |
| Residual factor for significantly intense reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.1745 |
| Weighted residual factors for all reflections included in the refinement | 0.2237 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7151062 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287519 (current) | 2023-11-10 | cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46 |
7153824.cif |
| 180324 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/38. |
7153824.cif |
| 125318 | 2014-10-14 | cif/7 Fixing some Z values and formulae |
7153824.cif |
| 113447 | 2014-05-12 | cif/ Adding structures of 7153824 via cif-deposit CGI script. |
7153824.cif |
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Users of the data should acknowledge the original authors of the
structural data.