Information card for entry 7239363

Structure parameters

• Common name: 1-cyanophenylazo-4-naphthol-piperidinium perchlorate
• Chemical name: 1-((4-(2-(4-cyanophenyl)hydrazono)-1-oxo-1, 4-dihydronaphthalen-2-yl)methyl)piperidin-1-ium perchlorate
• Formula: C23 H23 Cl N4 O5
• Calculated formula: C23 H23 Cl N4 O5
• Title of publication: Controlled tautomerism ‒ switching caused by an “underground” anionic effect
• Authors of publication: Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 47
• Pages of publication: 25410
• a: 15.6608 ± 0.0009 Å
• b: 12.611 ± 0.0005 Å
• c: 11.6097 ± 0.0007 Å
• α: 90°
• β: 108.592 ± 0.004°
• γ: 90°
• Cell volume: 2173.2 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0588
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No