Information card for entry 7706954

Structure parameters

• Formula: C58 H62 B Cl4 N4 O4 P
• Calculated formula: C58.001 H62.002 B Cl4.002 N4 O4 P
• Title of publication: Synthesis, structures and catalytic activity of some BINOL based boronates and boronium salts.
• Authors of publication: Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 14
• Pages of publication: 5044 - 5049
• a: 10.9371 ± 0.0001 Å
• b: 19.1375 ± 0.0001 Å
• c: 12.8579 ± 0.0001 Å
• α: 90°
• β: 92.182 ± 0.001°
• γ: 90°
• Cell volume: 2689.32 ± 0.04 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No