Information card for entry 4021120

Structure parameters

• Formula: C21 H35 N O5 Si
• Calculated formula: C21 H35 N O5 Si
• SMILES: O1N(O[Si](C)(C)C(C)(C)C)[C@H]([C@H](C[C@@]1(OC)C)c1ccccc1)CC(=O)OC.O1N(O[Si](C)(C)C(C)(C)C)[C@@H]([C@@H](C[C@]1(OC)C)c1ccccc1)CC(=O)OC
• Title of publication: New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates
• Authors of publication: Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 8485 - 8488
• a: 6.1304 ± 0.0012 Å
• b: 21.194 ± 0.004 Å
• c: 17.429 ± 0.004 Å
• α: 90°
• β: 95.4 ± 0.03°
• γ: 90°
• Cell volume: 2254.4 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No