Information card for entry 7247144

Structure parameters

• Formula: C19 H14 B N3 O2
• Calculated formula: C19 H14 B N3 O2
• 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: 7.1497 ± 0.0003 Å
• b: 8.7492 ± 0.0004 Å
• c: 13.6709 ± 0.0006 Å
• α: 97.158 ± 0.004°
• β: 96.96 ± 0.003°
• γ: 95.413 ± 0.004°
• Cell volume: 837.04 ± 0.06 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: 0.1235
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No