Information card for entry 7023356

Structure parameters

• Formula: C15 H12 N2 O2
• Calculated formula: C15 H12 N2 O2
• SMILES: c1(c(ccc(c1)OC)O)/C=N/c1ccc(cc1)C#N
• Title of publication: Ligand dissociation/recoordination in fluorescent ionic zinc-salicylideneimine compounds: synthesis, characterization, photophysical properties, and (1)H NMR studies.
• Authors of publication: Chiang, Ho-Wen; Su, Yo-Ting; Wu, Jing-Yun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 42
• Pages of publication: 15169 - 15182
• a: 13.2684 ± 0.0016 Å
• b: 6.2747 ± 0.0006 Å
• c: 29.454 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2452.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No