Information card for entry 4025089

Structure parameters

• Formula: C19 H26 N2 O3
• Calculated formula: C19 H26 N2 O3
• SMILES: [C@@]1([C@H](C1)c1ccccc1)(C(=O)N1CCCC1)NC(=O)OC(C)(C)C.[C@]1([C@@H](C1)c1ccccc1)(C(=O)N1CCCC1)NC(=O)OC(C)(C)C
• Title of publication: trans-Directing Ability of the Amide Group: Enabling the Enantiocontrol in the Synthesis of 1,1-Dicarboxy Cyclopropanes. Reaction Development, Scope, and Synthetic Applications
• Authors of publication: David Marcoux; Sébastien R. Goudreau; André B. Charette
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 8939 - 8955
• a: 11.1535 ± 0.0006 Å
• b: 15.5488 ± 0.0008 Å
• c: 10.3661 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1797.73 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No