Information card for entry 1504483

Structure parameters

• 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 ų
• 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