Information card for entry 7247583

Structure parameters

• Formula: C15 H16 N O7 P
• Calculated formula: C15 H16 N O7 P
• SMILES: P(=O)([O-])(O)O.O(c1ccc(/C=[NH+]/c2ccc(C(=O)O)cc2)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: 7.9912 ± 0.0001 Å
• b: 21.7863 ± 0.0002 Å
• c: 9.0403 ± 0.0001 Å
• α: 90°
• β: 100.091 ± 0.001°
• γ: 90°
• Cell volume: 1549.56 ± 0.03 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No