Information card for entry 7152012

Structure parameters

• Formula: C20 H19 N O3
• Calculated formula: C20 H19 N O3
• SMILES: c1(ccccc1)C(=O)N[C@@]1([C@H](CC=CC1)c1ccccc1)C(=O)O.c1(ccccc1)C(=O)N[C@]1([C@@H](CC=CC1)c1ccccc1)C(=O)O
• Title of publication: Amphiphilic allylation of arylidene-1,3-oxazol-5(4H)-one using bis-π-allylpalladium complexes: an approach to synthesis of cyclohexyl and cyclohexenyl α-amino acids.
• Authors of publication: Genady, Afaf R.; Nakamura, Hiroyuki
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 20
• Pages of publication: 7180 - 7189
• a: 29.149 ± 0.006 Å
• b: 7.5081 ± 0.0015 Å
• c: 15.387 ± 0.003 Å
• α: 90°
• β: 107.3 ± 0.002°
• γ: 90°
• Cell volume: 3215.2 ± 1.1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No