Information card for entry 7247153

Structure parameters

• Formula: C19 H20 B N3 O3
• Calculated formula: C19 H20 B N3 O3
• Title of publication: Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands
• Authors of publication: Easmin, Samina; Pedireddi, Venkateswara Rao
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 33
• Pages of publication: 23267 - 23284
• a: 7.547 ± 0.0004 Å
• b: 11.5173 ± 0.0007 Å
• c: 11.9183 ± 0.0008 Å
• α: 99.982 ± 0.005°
• β: 102.829 ± 0.004°
• γ: 105.296 ± 0.007°
• Cell volume: 944.22 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No