Information card for entry 4021888

Structure parameters

• Formula: C20 H32 N4 O4
• Calculated formula: C20 H32 N4 O4
• SMILES: N1=C(OC[C@@H]1C(C)C)C(=O)N[C@H]1[C@H](NC(=O)C2=N[C@H](CO2)C(C)C)CCCC1
• Title of publication: Synthesis and Crystallographic Characterization of Chiral Bis-oxazoline-amides. Fine-Tunable Ligands for Pd-Catalyzed Asymmetric Alkylations
• Authors of publication: Vincenzo Giulio Albano; Marco Bandini; Magda Monari; Eleonora Marcucci; Fabio Piccinelli; Achille Umani-Ronchi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6451 - 6458
• a: 11.63 ± 0.0005 Å
• b: 11.7664 ± 0.0005 Å
• c: 17.036 ± 0.0008 Å
• α: 90°
• β: 108.827 ± 0.001°
• γ: 90°
• Cell volume: 2206.53 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1579
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1928
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No