Information card for entry 4111880

Structure parameters

• Formula: C14 H20 N2 O3
• Calculated formula: C14 H20 N2 O3
• SMILES: O=C1N([C@H](CCN1C)[C@@H](O)c1ccc(OC)cc1)C.O=C1N([C@@H](CCN1C)[C@H](O)c1ccc(OC)cc1)C
• Title of publication: Radical Hydroxyalkylation of C-H Bond Adjacent to Nitrogen of Tertiary Amides, Ureas, and Amines
• Authors of publication: Takehiko Yoshimitsu; Yoshimasa Arano; Hiroto Nagaoka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 11610 - 11611
• a: 17.896 ± 0.003 Å
• b: 10.093 ± 0.001 Å
• c: 16.581 ± 0.004 Å
• α: 90°
• β: 152.84 ± 0.01°
• γ: 90°
• Cell volume: 1367.1 ± 0.6 ų
• Cell temperature: 291.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.294
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No