Information card for entry 4517137

Structure parameters

• Formula: C23 H20 B N3
• Calculated formula: C23 H20 B N3
• SMILES: [B](c1[nH+]cccc1)(c1ncccc1)(c1ncccc1)c1ccc(cc1)C=C
• Title of publication: Nitroxide-Mediated Controlled Free Radical Polymerization of the Chelate Monomer 4-Styryl-tris(2-pyridyl)borate (StTpyb) and Supramolecular Assembly via Metal Complexation
• Authors of publication: Shipman, Patrick O.; Cui, Chengzhong; Lupinska, Patrycja; Lalancette, Roger A.; Sheridan, John B.; Jäkle, Frieder
• Journal of publication: ACS Macro Letters
• Year of publication: 2013
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 1056
• a: 11.8959 ± 0.0002 Å
• b: 9.1565 ± 0.0002 Å
• c: 17.3296 ± 0.0003 Å
• α: 90°
• β: 97.688 ± 0.001°
• γ: 90°
• Cell volume: 1870.66 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No