Information card for entry 4105349

Structure parameters

• Formula: C17 H15 N O4
• Calculated formula: C17 H15 N O4
• SMILES: O=N(=O)[C@@]1([C@@H](C1)c1ccccc1)C(=O)c1ccc(OC)cc1
• Title of publication: Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids
• Authors of publication: Vincent N. G. Lindsay; Wei Lin; André B. Charette
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 16383 - 16385
• a: 8.1895 ± 0.0014 Å
• b: 5.7464 ± 0.0009 Å
• c: 16.269 ± 0.003 Å
• α: 90°
• β: 97.801 ± 0.005°
• γ: 90°
• Cell volume: 758.5 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0914
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No