Information card for entry 7125903

Structure parameters

• Common name: EIT752
• Formula: C36 H44 Br N O5
• Calculated formula: C36 H44 Br N O5
• Title of publication: Quaternary β^2,2-amino acid derivatives by asymmetric addition of isoxazolidin-5-ones to para-quinone methides.
• Authors of publication: Eitzinger, Andreas; Winter, Michael; Schörgenhumer, Johannes; Waser, Mario
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 579 - 582
• a: 10.1681 ± 0.0004 Å
• b: 11.5222 ± 0.0004 Å
• c: 15.4679 ± 0.0006 Å
• α: 105.32 ± 0.001°
• β: 90.967 ± 0.002°
• γ: 100.049 ± 0.002°
• Cell volume: 1717.2 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.145
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No