Information card for entry 1508770

Structure parameters

• Formula: C22 H22 F6 N2
• Calculated formula: C22 H22 F6 N2
• Title of publication: Efficient Synthesis of Chiral 2,2'-Bipyrrolidines by an anti-Selective Alkene Diamination.
• Authors of publication: Müller, Christian H; Fröhlich, Roland; Daniliuc, Constantin G.; Hennecke, Ulrich
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 5944 - 5947
• a: 14.5477 ± 0.0006 Å
• b: 9.8838 ± 0.0003 Å
• c: 14.5179 ± 0.0007 Å
• α: 90°
• β: 107.769 ± 0.003°
• γ: 90°
• Cell volume: 1987.89 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No