Information card for entry 7124471

Structure parameters

• Formula: C36 H38 Br2 N4 O4
• Calculated formula: C36 H38 Br2 N4 O4
• Title of publication: Hydrogen bond directed aerobic oxidation of amines via photoredox catalysis.
• Authors of publication: Wang, Hongyu; Man, Yunquan; Wang, Kaiye; Wan, Xiuyan; Tong, Lili; Li, Na; Tang, Bo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 78
• Pages of publication: 10989 - 10992
• a: 9.5585 ± 0.0004 Å
• b: 11.0081 ± 0.0005 Å
• c: 16.9501 ± 0.0008 Å
• α: 84.171 ± 0.004°
• β: 85.069 ± 0.004°
• γ: 70.438 ± 0.004°
• Cell volume: 1669.3 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.047
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No