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Information card for entry 1504483
Preview
| Coordinates | 1504483.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | (2R,2'R)-4,4'-Dioxo-5,5'-bis-(triisopropylsilanyl)-3,4,3',4'-tetrahydro- 2H,2'H-['2,2']bipyridinyl-1,1'-dicarboxylic acid bis-[(1S,2R)- 2-(1-methyl-1-phenylethyl)-cyclohexyl] ester |
|---|---|
| Formula | C60 H92 N2 O6 Si2 |
| Calculated formula | C60 H92 N2 O6 Si2 |
| SMILES | [Si](C1=CN([C@H](CC1=O)[C@@H]1N(C=C([Si](C(C)C)(C(C)C)C(C)C)C(=O)C1)C(=O)O[C@@H]1[C@H](CCCC1)C(C)(C)c1ccccc1)C(=O)O[C@@H]1[C@H](CCCC1)C(C)(C)c1ccccc1)(C(C)C)(C(C)C)C(C)C |
| Title of publication | Asymmetric synthesis of C2-symmetric vicinal diamines via reductive dimerization of N-acylpyridinium and related salts. |
| Authors of publication | Bharathi, Pandi; Comins, Daniel L. |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 2 |
| Pages of publication | 221 - 223 |
| a | 13.3273 ± 0.0004 Å |
| b | 16.5368 ± 0.0005 Å |
| c | 26.0268 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5736.1 ± 0.3 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0398 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0805 |
| Weighted residual factors for all reflections included in the refinement | 0.0833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 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. |
1504483.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. |
1504483.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504483.cif |
| 42102 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504483 via cif-deposit CGI script. |
1504483.cif |
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