Information card for entry 7155575

Structure parameters

• Formula: C72 H82 F12 N4 O4
• Calculated formula: C72 H82 F12 N4 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: 11.6196 ± 0.0007 Å
• b: 13.8475 ± 0.0008 Å
• c: 21.0449 ± 0.0012 Å
• α: 89.1 ± 0.005°
• β: 83.969 ± 0.005°
• γ: 83.67 ± 0.005°
• Cell volume: 3346.9 ± 0.3 ų
• Cell temperature: 150.02 ± 0.1 K
• Ambient diffraction temperature: 150.02 ± 0.1 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: 0.1656
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.2256
• Weighted residual factors for all reflections included in the refinement: 0.2787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No