Information card for entry 4125974

Structure parameters

• Formula: C29 H29 N
• Calculated formula: C29 H29 N
• SMILES: c1(c(c2ccccc2n1C)[C@@H]1C=CCCC1)[C@@H](Cc1ccccc1)c1ccccc1
• Title of publication: Palladium Catalyzed Asymmetric Three-Component Coupling of Boronic Esters, Indoles, and Allylic Acetates.
• Authors of publication: Panda, Santanu; Ready, Joseph M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 17
• Pages of publication: 6038 - 6041
• a: 10.8165 ± 0.0004 Å
• b: 10.8165 ± 0.0004 Å
• c: 16.2708 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1648.59 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No