Information card for entry 4132801

Structure parameters

• Formula: C22 H24 N2
• Calculated formula: C22 H24 N2
• SMILES: [C@]1([C@@](c2ccccc2N1C)(CC=C)C)(CCC#N)c1ccccc1.[C@@]1([C@](c2ccccc2N1C)(CC=C)C)(CCC#N)c1ccccc1
• Title of publication: Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.
• Authors of publication: Panda, Santanu; Ready, Joseph M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 41
• Pages of publication: 13242 - 13252
• a: 15.0877 ± 0.0018 Å
• b: 11.8705 ± 0.0011 Å
• c: 19.9549 ± 0.0018 Å
• α: 90°
• β: 99.75 ± 0.004°
• γ: 90°
• Cell volume: 3522.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No