Information card for entry 7248386

Structure parameters

• Formula: C33 H26 N2 O3 S
• Calculated formula: C33 H26 N2 O3 S
• Title of publication: New 8-Hydroxy Quinoline-Polycyclic Aromatic Hydrocarbon (PAH) Conjugates and Their Sulfonated Derivatives: Effects of Sulfonation and PAH Size on their Structural, Supramolecular and Cytotoxic Properties
• Authors of publication: Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 7.4377 ± 0.0003 Å
• b: 14.7657 ± 0.0004 Å
• c: 23.7592 ± 0.0007 Å
• α: 90°
• β: 93.154 ± 0.003°
• γ: 90°
• Cell volume: 2605.35 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0513
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0803
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No