Information card for entry 7239951

Structure parameters

• Formula: C33 H27 N O6
• Calculated formula: C33 H27 N O6
• Title of publication: A dual biomimetic process for the selective aerobic oxidative coupling of primary amines using pyrogallol as a precatalyst. Isolation of the [5 + 2] cycloaddition redox intermediates
• Authors of publication: Largeron, Martine; Deschamps, Patrick; Hammad, Karim; Fleury, Maurice-Bernard
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 6
• Pages of publication: 1894 - 1905
• a: 12.6327 ± 0.0006 Å
• b: 15.2434 ± 0.0007 Å
• c: 15.98 ± 0.0007 Å
• α: 102.027 ± 0.002°
• β: 105.432 ± 0.002°
• γ: 112.595 ± 0.002°
• Cell volume: 2566.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0427
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No