Information card for entry 7247584

Structure parameters

• Formula: C15 H13 N O3
• Calculated formula: C15 H13 N O3
• SMILES: O(c1ccc(/C=N/c2ccc(cc2)C(=O)O)cc1)C
• 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: 3.89223 ± 0.00004 Å
• b: 10.76523 ± 0.0001 Å
• c: 15.40737 ± 0.00014 Å
• α: 109.037 ± 0.0008°
• β: 94.011 ± 0.0008°
• γ: 90.8565 ± 0.0008°
• Cell volume: 608.291 ± 0.011 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No