Information card for entry 7248389

Structure parameters

• Formula: C27 H17 N O
• Calculated formula: C27 H17 N O
• SMILES: n1c2c(ccc1/C=C/c1c3c4c5c(cc3)cccc5ccc4cc1)cccc2O
• 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
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 2361 - 2372
• a: 15.5838 ± 0.0015 Å
• b: 6.6875 ± 0.0006 Å
• c: 18.8389 ± 0.0019 Å
• α: 90°
• β: 107.494 ± 0.011°
• γ: 90°
• Cell volume: 1872.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0631
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0493
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No