Information card for entry 1573069

Structure parameters

• Formula: C49 H65 B N4 O Zn
• Calculated formula: C49 H65 B N4 O Zn
• Title of publication: Zinc borylation and reduction by a diborane(4) species <i>via</i> B-O bond formation.
• Authors of publication: Griffin, Liam P.; Aldridge, Simon
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 46
• Pages of publication: 19577 - 19582
• a: 16.1404 ± 0.0002 Å
• b: 15.1592 ± 0.0001 Å
• c: 19.0592 ± 0.0002 Å
• α: 90°
• β: 101.428 ± 0.001°
• γ: 90°
• Cell volume: 4570.87 ± 0.08 ų
• Cell temperature: 149.98 ± 0.11 K
• Ambient diffraction temperature: 149.98 ± 0.11 K
• Number of distinct elements: 6
• 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: 0.0392
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No