Information card for entry 7122506

Structure parameters

• Chemical name: Ethyl (2S,3R)-2-(2-benzoyl-1-(4-bromobenzoyl)hydrazinyl)-3,7-dimethyl-3-vinyloct-6-enoate
• Formula: C56 H66 Br2 N4 O8
• Calculated formula: C56 H66 Br2 N4 O8
• Title of publication: Catalytic asymmetric propargyl- and allylboration of hydrazonoesters: a metal-free approach to sterically encumbered chiral α-amino acid derivatives.
• Authors of publication: Jonker, Sybrand J. T.; Diner, Colin; Schulz, Göran; Iwamoto, Hiroaki; Eriksson, Lars; Szabó, Kálmán J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 91
• Pages of publication: 12852 - 12855
• a: 10.3142 ± 0.0005 Å
• b: 10.6819 ± 0.0005 Å
• c: 25.6534 ± 0.0013 Å
• α: 100.702 ± 0.003°
• β: 99.312 ± 0.004°
• γ: 92.569 ± 0.003°
• Cell volume: 2732.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 77 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No