Information card for entry 1505882

Structure parameters

• Formula: C19 H17 N O4
• Calculated formula: C19 H17 N O4
• SMILES: O=C1C[C@H](N([C@@H]1c1ccccc1)C(=O)c1ccccc1)C(=O)OC.O=C1C[C@@H](N([C@H]1c1ccccc1)C(=O)c1ccccc1)C(=O)OC
• 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: 14.582 ± 0.002 Å
• b: 18.285 ± 0.003 Å
• c: 5.944 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1584.9 ± 0.4 ų
• Cell temperature: 223.1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No