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Information card for entry 1504483
Preview
Coordinates | 1504483.cif |
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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 |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1504483.html
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