Information card for entry 7150763

Structure parameters

• Formula: C19 H25 N3 O7
• Calculated formula: C19 H25 N3 O7
• Title of publication: The reaction of acyl cyanides with “Huisgen zwitterion”: an interesting rearrangement involving ester group migration between oxygen and nitrogen atoms
• Authors of publication: Liu, Xu-Guang; Wei, Yin; Shi, Min
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 22
• Pages of publication: 4708 - 4714
• a: 7.5749 ± 0.0013 Å
• b: 12.355 ± 0.002 Å
• c: 12.896 ± 0.002 Å
• α: 99.071 ± 0.003°
• β: 102.604 ± 0.003°
• γ: 106.451 ± 0.003°
• Cell volume: 1098.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No