Information card for entry 4117531

Structure parameters

• Formula: C27 H28 Cl N O4
• Calculated formula: C27 H28 Cl N O4
• SMILES: Clc1ccc(C(C(C(=O)OCC)C(=O)OCC)CN(c2ccccc2)c2ccccc2)cc1
• Title of publication: Visible-Light-Mediated Utilization of α-Aminoalkyl Radicals: Addition to Electron-Deficient Alkenes Using Photoredox Catalysts
• Authors of publication: Yoshihiro Miyake; Kazunari Nakajima; Yoshiaki Nishibayashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 3338 - 3341
• a: 21.4069 ± 0.0012 Å
• b: 10.5671 ± 0.0007 Å
• c: 21.9699 ± 0.0012 Å
• α: 90°
• β: 101.18 ± 0.0018°
• γ: 90°
• Cell volume: 4875.5 ± 0.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No