Information card for entry 7126163

Structure parameters

• Formula: C55 H82 Au B2 K O8 P2
• Calculated formula: C55 H82 Au B2 K O8 P2
• Title of publication: C[double bond, length as m-dash]O scission and reductive coupling of organic carbonyls by a redox-active diboraanthracene.
• Authors of publication: Taylor, Jordan W.; Harman, W. Hill
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 32
• Pages of publication: 4480 - 4483
• a: 19.9307 ± 0.0006 Å
• b: 14.7178 ± 0.0004 Å
• c: 20.3785 ± 0.0006 Å
• α: 90°
• β: 110.812 ± 0.0005°
• γ: 90°
• Cell volume: 5587.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No