Information card for entry 1505879

Structure parameters

• Formula: C24 H31 N O5 Si
• Calculated formula: C24 H31 N O5 Si
• SMILES: [Si](O[C@]1(OC)[C@@H](N([C@@H]1CCC(=O)OC)C(=O)c1ccccc1)c1ccccc1)(C)(C)C.[Si](O[C@@]1(OC)[C@H](N([C@H]1CCC(=O)OC)C(=O)c1ccccc1)c1ccccc1)(C)(C)C
• Title of publication: Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?
• Authors of publication: Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 1323 - 1325
• a: 9.062 ± 0.002 Å
• b: 11.895 ± 0.003 Å
• c: 12.311 ± 0.003 Å
• α: 98.051 ± 0.006°
• β: 100.63 ± 0.01°
• γ: 109.27 ± 0.01°
• Cell volume: 1202 ± 0.5 ų
• Cell temperature: 223.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No