Information card for entry 4128288

Structure parameters

• Formula: C19 H21 N
• Calculated formula: C19 H21 N
• SMILES: N12CCCC[C@H]1[C@H](c1ccccc21)c1ccc(cc1)C.N12CCCC[C@@H]1[C@@H](c1ccccc21)c1ccc(cc1)C
• Title of publication: Deoxygenative Insertion of Carbonyl Carbon into a C(sp³)-H Bond: Synthesis of Indolines and Indoles.
• Authors of publication: Asako, Sobi; Ishihara, Seina; Hirata, Keiya; Takai, Kazuhiko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 25
• Pages of publication: 9832 - 9836
• a: 12.887 ± 0.014 Å
• b: 6.012 ± 0.006 Å
• c: 18.99 ± 0.02 Å
• α: 90°
• β: 94.389 ± 0.016°
• γ: 90°
• Cell volume: 1467 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1429
• Residual factor for significantly intense reflections: 0.1274
• Weighted residual factors for significantly intense reflections: 0.1963
• Weighted residual factors for all reflections included in the refinement: 0.2026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.396
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No