Information card for entry 1559702

Structure parameters

• Formula: C29 H23 N3 O
• Calculated formula: C29 H23 N3 O
• SMILES: Oc1c(/C=N/c2c(NC(c3ncccc3)c3ccccc3)cccc2)c2c(cc1)cccc2
• Title of publication: X-ray structure of two Schiff bases: TURN-ON sensing of Fe³⁺ and Al³⁺ in the HepG2 cell line.
• Authors of publication: Dey, Sunanda; Maity, Suvendu; Purkait, Rakesh; Pal, Kunal; Ghosh, Prasanta; Jana, Kuladip; Sinha, Chittaranjan
• Journal of publication: Analytical methods : advancing methods and applications
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 45
• Pages of publication: 5485 - 5495
• a: 22.18 ± 0.003 Å
• b: 5.9098 ± 0.0007 Å
• c: 16.938 ± 0.002 Å
• α: 90°
• β: 94.383 ± 0.004°
• γ: 90°
• Cell volume: 2213.7 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.1556
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No