Information card for entry 4024189

Structure parameters

• Formula: C25 H25 N O3
• Calculated formula: C25 H25 N O3
• SMILES: O1C[C@H](OC1=O)[C@@H](N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
• Title of publication: Totally Selective Reaction of CO~2~ with Enantiopure Amino Epoxides under Mild Reaction Conditions. Synthesis and Synthetic Applications of Enantiopure (4R,1'S)- or (4S,1'S)-4-(1-Aminoalkyl)-2-oxo-1,3-dioxolanes
• Authors of publication: José M. Concellón; Virginia del Solar; Santiago García-Granda; M. Rosario Díaz
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 7567 - 7573
• a: 11.0013 ± 0.0008 Å
• b: 9.2305 ± 0.0006 Å
• c: 21.613 ± 0.0002 Å
• α: 90°
• β: 91.697 ± 0.007°
• γ: 90°
• Cell volume: 2193.8 ± 0.2 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: 0.1231
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No