Information card for entry 7039523

Structure parameters

• Formula: C28 H18 N2 O
• Calculated formula: C28 H18 N2 O
• SMILES: Oc1c(c2c(cc1)cccc2)/C=N/N=C/c1c2c3c4c(cccc4cc2)ccc3cc1
• Title of publication: Dual mode selective chemosensor for copper and fluoride ions: a fluorometric, colorimetric and theoretical investigation.
• Authors of publication: Ghosh, Soumen; Ganguly, Aniruddha; Uddin, Md Raihan; Mandal, Sukhendu; Alam, Md Akhtarul; Guchhait, Nikhil
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 27
• Pages of publication: 11042 - 11051
• a: 9.705 ± 0.003 Å
• b: 16.342 ± 0.005 Å
• c: 12.564 ± 0.004 Å
• α: 90°
• β: 95.886 ± 0.013°
• γ: 90°
• Cell volume: 1982.1 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.212
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.2518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No