Information card for entry 7247581

Structure parameters

• Formula: C15 H15 N O7 S
• Calculated formula: C15 H15 N O7 S
• SMILES: S(=O)(=O)([O-])O.O(c1ccc(cc1)/C=[NH+]/c1ccc(cc1)C(=O)O)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: 4.4714 ± 0.0001 Å
• b: 9.3275 ± 0.0002 Å
• c: 17.7797 ± 0.0005 Å
• α: 90°
• β: 90.109 ± 0.002°
• γ: 90°
• Cell volume: 741.54 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No