Information card for entry 4027184

Structure parameters

• Formula: C27 H23 N
• Calculated formula: C27 H23 N
• SMILES: [nH]1c(ccc1[C@@H](c1ccccc1)/C=C/c1ccccc1)/C=C/c1ccccc1
• Title of publication: Asymmetric Allylic Alkylation of Pyrroles and 4,7-Dihydroindoles with Alkene-Phosphine Ligands
• Authors of publication: Yilin Liu; Ziping Cao; Haifeng Du
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 4479 - 4483
• a: 22.202 ± 0.005 Å
• b: 5.6791 ± 0.0011 Å
• c: 16.357 ± 0.003 Å
• α: 90°
• β: 103.799 ± 0.014°
• γ: 90°
• Cell volume: 2002.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No