Information card for entry 1508621

Structure parameters

• Formula: C24 H28 N4 O4
• Calculated formula: C24 H28 N4 O4
• SMILES: O=C(NC(C)C)C(N1C(=O)N(NC(=O)c2ccc(OC)cc2)C=C1C)Cc1ccccc1
• Title of publication: N-Amino-imidazolin-2-one peptide mimic synthesis and conformational analysis.
• Authors of publication: Proulx, Caroline; Lubell, William D.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4552 - 4555
• a: 8.22449 ± 0.00009 Å
• b: 12.53894 ± 0.00014 Å
• c: 22.0629 ± 0.0002 Å
• α: 95.3801 ± 0.0006°
• β: 90.5993 ± 0.0006°
• γ: 91.4925 ± 0.0006°
• Cell volume: 2264.28 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0452
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No