Information card for entry 7247579

Structure parameters

• Formula: C15 H14 N2 O6
• Calculated formula: C15 H14 N2 O6
• SMILES: O=N(=O)[O-].O=C(O)c1ccc(/[NH+]=C/c2ccc(OC)cc2)cc1
• Title of publication: New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation
• Authors of publication: Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 44
• Pages of publication: 6185 - 6193
• a: 4.83768 ± 0.00017 Å
• b: 14.8178 ± 0.0005 Å
• c: 20.0275 ± 0.0006 Å
• α: 90°
• β: 95.964 ± 0.003°
• γ: 90°
• Cell volume: 1427.88 ± 0.08 ų
• Cell temperature: 99.9 ± 0.8 K
• Ambient diffraction temperature: 99.9 ± 0.8 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: 0.0649
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No