Information card for entry 1568351

Structure parameters

• Formula: C26 H18 B2 O4
• Calculated formula: C26 H18 B2 O4
• Title of publication: Nickel boryl complexes and nickel-catalyzed alkyne borylation.
• Authors of publication: Tendera, Lukas; Fantuzzi, Felipe; Marder, Todd B.; Radius, Udo
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2215 - 2228
• a: 9.8008 ± 0.0001 Å
• b: 11.1639 ± 0.0001 Å
• c: 20.6104 ± 0.0003 Å
• α: 81.513 ± 0.001°
• β: 82.36 ± 0.001°
• γ: 66.213 ± 0.001°
• Cell volume: 2034.2 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0397
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 0.647
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No