Information card for entry 7126862

Structure parameters

• Formula: C16 H20 Cl N2 O5
• Calculated formula: C16 H21 Cl N2 O5
• Title of publication: Direct preparation of unprotected aminimides (R₃N⁺-NH^-) from natural aliphatic tertiary alkaloids (R₃N) by [Mn(TDCPP)Cl]-catalysed N-amination reaction.
• Authors of publication: Zhang, Shilong; Liu, Yungen; Xing, Fangrong; Che, Chi-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 64
• Pages of publication: 9102 - 9105
• a: 11.309 ± 0.0004 Å
• b: 11.309 ± 0.0004 Å
• c: 11.3065 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1252.3 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No