Information card for entry 4124345

Structure parameters

• Formula: C22 H19 Br O2
• Calculated formula: C22 H19 Br O2
• SMILES: Brc1ccc(C(=O)OCC[C@@H]2[C@H](C2)c2ccc3ccccc3c2)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: 14.6894 ± 0.0008 Å
• b: 5.9472 ± 0.0003 Å
• c: 20.3256 ± 0.0011 Å
• α: 90°
• β: 98.8906 ± 0.0007°
• γ: 90°
• Cell volume: 1754.33 ± 0.16 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.025
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No