Information card for entry 4124202

Structure parameters

• Formula: C22 H19 N O4
• Calculated formula: C22 H19 N O4
• SMILES: N(=O)(=O)c1ccc(C(=O)OCC[C@@H]2[C@@H](C2)c2cc3ccccc3cc2)cc1.N(=O)(=O)c1ccc(C(=O)OCC[C@H]2[C@H](C2)c2cc3ccccc3cc2)cc1
• Title of publication: Stereospecific Intramolecular Reductive Cross-Electrophile Coupling Reactions for Cyclopropane Synthesis.
• Authors of publication: Tollefson, Emily J.; Erickson, Lucas W.; Jarvo, Elizabeth R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 31
• Pages of publication: 9760 - 9763
• a: 16.4673 ± 0.0007 Å
• b: 8.733 ± 0.0004 Å
• c: 12.2472 ± 0.0005 Å
• α: 90°
• β: 93.6709 ± 0.0005°
• γ: 90°
• Cell volume: 1757.64 ± 0.13 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No