Information card for entry 7228387

Structure parameters

• Formula: C14 H12 B N O8
• Calculated formula: C14 H12 B N O8
• SMILES: B(O)(O)c1c[nH+]ccc1.[O-]C(=O)c1cc(cc(c1)C(=O)O)C(=O)O
• Title of publication: Supramolecular networks in molecular complexes of pyridine boronic acids and polycarboxylic acids: Synthesis, structural characterization and fluorescent properties
• Authors of publication: Campos, Jose Jesus; García Grajeda, Blanca A.; Hernández, Irán Fernando; Guerrero, Jorge Antonio; Höpfl, Herbert; Cruz, Adriana
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 6.8238 ± 0.001 Å
• b: 8.5146 ± 0.0013 Å
• c: 12.6237 ± 0.0019 Å
• α: 91.778 ± 0.002°
• β: 104.295 ± 0.002°
• γ: 96.157 ± 0.002°
• Cell volume: 705.39 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.036
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No