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Information card for entry 7151014
Preview
| Coordinates | 7151014.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C36 H51 N O4 |
|---|---|
| Calculated formula | C36 H51 N O4 |
| SMILES | O(C(=O)[C@@](N(C)C)(C/C=C\C)c1c(ccc(c1)C(=O)OC(C)(C)C)C)[C@H]1[C@@H](CC[C@H](C1)C)C(C)(C)c1ccccc1 |
| Title of publication | New synthetic routes to optically active α-quaternary α-aryl amino acid derivatives via the diastereoselective Stevens and Sommelet‒Hauser rearrangements |
| Authors of publication | Tayama, Eiji; Orihara, Kiwako; Kimura, Hiroshi |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2008 |
| Journal volume | 6 |
| Journal issue | 20 |
| Pages of publication | 3673 - 3680 |
| a | 9.2925 ± 0.0001 Å |
| b | 12.9908 ± 0.0002 Å |
| c | 28.111 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3393.48 ± 0.08 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for all reflections included in the refinement | 0.1235 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.225 |
| Diffraction radiation wavelength | 0.7107 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. |
7151014.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7151014.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151014.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151014.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7151014.cif |
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Users of the data should acknowledge the original authors of the
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