Information card for entry 4132795

Structure parameters

• Formula: C24 H29 N O2
• Calculated formula: C24 H29 N O2
• SMILES: [C@]12([C@@](c3ccccc3N2C[C@@](CC1)(C)O)(CC=C)C)c1ccc(cc1)OC
• 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: 18.6672 ± 0.0003 Å
• b: 6.4223 ± 0.0001 Å
• c: 16.6077 ± 0.0002 Å
• α: 90°
• β: 90.374 ± 0.001°
• γ: 90°
• Cell volume: 1990.99 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No