Information card for entry 1551070

Structure parameters

• Formula: C26 H23 N O
• Calculated formula: C26 H23 N O
• SMILES: O=C([C@](c1ccccc1)(Cc1ccccc1)CC=C)n1ccc2ccccc12
• Title of publication: Palladium-catalyzed enantioselective decarboxylative allylic alkylation of fully substituted N-acyl indole-derived enol carbonates
• Authors of publication: Alexy, Eric J.; Fulton, Tyler J.; Zhang, Haiming; Stoltz, Brian M.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 11.2225 ± 0.001 Å
• b: 6.4382 ± 0.0006 Å
• c: 14.0893 ± 0.0013 Å
• α: 90°
• β: 99.6595 ± 0.0018°
• γ: 90°
• Cell volume: 1003.56 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0265
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No