Information card for entry 7239362

Structure parameters

• Chemical name: 4-((4-hydroxy-3-(piperidin-1-ylmethyl)naphthalen-1-yl)diazenyl)benzonitrile
• Formula: C23 H22 N4 O
• Calculated formula: C23 H22 N4 O
• 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: 5.0932 ± 0.0006 Å
• b: 11.5499 ± 0.0014 Å
• c: 16.654 ± 0.002 Å
• α: 92.331 ± 0.01°
• β: 93.567 ± 0.01°
• γ: 101.183 ± 0.01°
• Cell volume: 957.8 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No