Information card for entry 4118340

Structure parameters

• Formula: C16 H21 N3 O3
• Calculated formula: C16 H21 N3 O3
• Title of publication: Enantioselective Conjugate Addition of Donor-Acceptor Hydrazones to α,β-Unsaturated Aldehydes through Formal Diaza-Ene Reaction: Access to 1,4-Dicarbonyl Compounds
• Authors of publication: Maitane Fernández; Uxue Uria; Jose L. Vicario; Efraím Reyes; Luisa Carrillo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 11872 - 11875
• a: 26.6846 ± 0.0004 Å
• b: 8.3813 ± 0.0001 Å
• c: 6.9691 ± 0.0001 Å
• α: 90°
• β: 90.241 ± 0.001°
• γ: 90°
• Cell volume: 1558.64 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No