Information card for entry 1516074

Structure parameters

• Formula: C40 H41 N3 O4
• Calculated formula: C40 H41 N3 O4
• SMILES: C(=O)([C@H](c1ccccc1)N(C1=C([C@@H](c2ccccc2)N(c2ccccc2)C1=O)C(=O)OCC)Cc1ccccc1)NC1CCCCC1.C(=O)([C@@H](c1ccccc1)N(C1=C([C@H](c2ccccc2)N(c2ccccc2)C1=O)C(=O)OCC)Cc1ccccc1)NC1CCCCC1
• Title of publication: Enols as feasible acid components in the Ugi condensation.
• Authors of publication: Castellano, Teresa G.; Neo, Ana G.; Marcaccini, Stefano; Marcos, Carlos F.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 6218 - 6221
• a: 12.3712 ± 0.001 Å
• b: 12.5383 ± 0.0009 Å
• c: 13.3489 ± 0.0017 Å
• α: 102.471 ± 0.005°
• β: 100.682 ± 0.005°
• γ: 118.295 ± 0.004°
• Cell volume: 1677.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1934
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No