Information card for entry 7706953

Structure parameters

• Formula: C114 H108 B2 N2 O14
• Calculated formula: C114 H108 B2 N2 O14
• 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: 11.1617 ± 0.0001 Å
• b: 14.9858 ± 0.0002 Å
• c: 15.9416 ± 0.0002 Å
• α: 65.773 ± 0.001°
• β: 82.04 ± 0.001°
• γ: 68.445 ± 0.001°
• Cell volume: 2261.36 ± 0.05 ų
• Cell temperature: 99.9 ± 0.4 K
• Ambient diffraction temperature: 99.9 ± 0.4 K
• Number of distinct elements: 5
• Space group number: 1
• 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: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No