Information card for entry 7239365

Structure parameters

• Chemical name: 4-((4-nitrophenyl)diazenyl)-2-(piperidin-1-ylmethyl)naphthalen-1-ol
• Formula: C22 H22 N4 O3
• Calculated formula: C22 H22 N4 O3
• 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: 5.2175 ± 0.0007 Å
• b: 10.7215 ± 0.0016 Å
• c: 17.295 ± 0.003 Å
• α: 82.197 ± 0.012°
• β: 81.572 ± 0.012°
• γ: 89.056 ± 0.012°
• Cell volume: 948.2 ± 0.3 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: 0.1476
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No