Information card for entry 7126166

Structure parameters

• Formula: C50 H72 Au B2 K O8 P2
• Calculated formula: C50 H72 Au B2 K O8 P2
• SMILES: [Au]1[P](c2c([B]34C[O]5C[O]([B](c6c3cccc6)(c3ccccc43)c3c(cccc3)[P]1(C(C)C)C(C)C)[K]134675[O]5CC[O]1CC[O]3CC[O]4CC[O]6CC[O]7CC5)cccc2)(C(C)C)C(C)C
• 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: 10.0837 ± 0.0002 Å
• b: 14.1067 ± 0.0002 Å
• c: 18.4824 ± 0.0003 Å
• α: 81.7553 ± 0.0005°
• β: 84.4017 ± 0.0005°
• γ: 73.8383 ± 0.0005°
• Cell volume: 2494.48 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0154
• Residual factor for significantly intense reflections: 0.0149
• Weighted residual factors for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.0372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No