Information card for entry 7239730

Structure parameters

• Formula: C17 H24 N4 O7
• Calculated formula: C17 H24 N4 O7
• Title of publication: Electroactivated alkylation of amines with alcohols via both direct and indirect borrowing hydrogen mechanisms
• Authors of publication: Appiagyei, Benjamin; Bhatia, Souful; Keeney, Gabriela L.; Dolmetsch, Troy; Jackson, James E.
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 3
• Pages of publication: 860 - 869
• a: 7.1396 ± 0.0018 Å
• b: 15.021 ± 0.004 Å
• c: 17.652 ± 0.005 Å
• α: 90°
• β: 96.825 ± 0.004°
• γ: 90°
• Cell volume: 1879.7 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No