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Information card for entry 7150689
Preview
| Coordinates | 7150689.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C30 H37 N O5 S |
|---|---|
| Calculated formula | C30 H37 N O5 S |
| SMILES | S(=O)(=O)(O[C@H]1CCN([C@H](C1)[C@H](OCc1ccccc1)COCc1ccccc1)[C@H](c1ccccc1)C)C |
| Title of publication | Stereocontrolled synthesis of orthogonally protected 2-substituted 4-aminopiperidines |
| Authors of publication | Badorrey, Ramón; Portaña, Elsa; Díaz-de-Villegas, María D.; Gálvez, José A. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 14 |
| Pages of publication | 2912 - 2918 |
| a | 10.0148 ± 0.0006 Å |
| b | 10.6959 ± 0.0007 Å |
| c | 12.9949 ± 0.0008 Å |
| α | 90° |
| β | 102.575 ± 0.001° |
| γ | 90° |
| Cell volume | 1358.59 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0418 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.1018 |
| Weighted residual factors for all reflections included in the refinement | 0.1028 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7150689.cif |
| 180292 | 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 7/15/06. |
7150689.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150689.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150689.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150689.cif |
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Users of the data should acknowledge the original authors of the
structural data.