Information card for entry 7155574

Structure parameters

• Formula: C33 H40 N2 O4
• Calculated formula: C33 H40 N2 O4
• Title of publication: Selective Construction of Quaternary Stereocentres in Radical Cyclisation Cascades triggered by electron-transfer reduction of amide-type carbonyls
• Authors of publication: Huang, Huan-Ming; Bonilla, Pablo; Procter, David John
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 11.4817 ± 0.0006 Å
• b: 11.8623 ± 0.0007 Å
• c: 12.3995 ± 0.0007 Å
• α: 76.664 ± 0.005°
• β: 63.649 ± 0.006°
• γ: 70.861 ± 0.005°
• Cell volume: 1422.43 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1365
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.2091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No