Information card for entry 7115388

Structure parameters

• Formula: C19 H19 N O3
• Calculated formula: C19 H19 N O3
• SMILES: O=C1N(C[C@@H]([C@H]1C(=O)OCC)c1ccccc1)c1ccccc1.O=C1N(C[C@H]([C@@H]1C(=O)OCC)c1ccccc1)c1ccccc1
• Title of publication: Synthesis of nitrogen heterocycles via alpha-aminoalkyl radicals generated from alpha-silyl secondary amines under visible light irradiation
• Authors of publication: Kazunari Nakajima; Mai Kitagawa; Yuya Ashida; Yoshihiro Miyake; Yoshiaki Nishibayashi
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8900
• a: 7.949 ± 0.0018 Å
• b: 9.913 ± 0.003 Å
• c: 11.241 ± 0.003 Å
• α: 96.837 ± 0.005°
• β: 105.663 ± 0.005°
• γ: 109.836 ± 0.005°
• Cell volume: 780.3 ± 0.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No