Information card for entry 7704446

Structure parameters

• Formula: C30 H32 N8 O2
• Calculated formula: C30 H32 N8 O2
• Title of publication: Zn(ii) detection and biological activity of a macrocycle containing a bis(oxadiazole)pyridine derivative as fluorophore.
• Authors of publication: Ambrosi, Gianluca; Fanelli, Mirco; Paoli, Paola; Formica, Mauro; Paderni, Daniele; Rossi, Patrizia; Micheloni, Mauro; Giorgi, Luca; Fusi, Vieri
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 22
• Pages of publication: 7496 - 7506
• a: 13.4534 ± 0.0004 Å
• b: 13.8945 ± 0.0006 Å
• c: 14.6955 ± 0.0004 Å
• α: 89.071 ± 0.003°
• β: 88.803 ± 0.002°
• γ: 86.849 ± 0.003°
• Cell volume: 2741.94 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1224
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.3289
• Weighted residual factors for all reflections included in the refinement: 0.3454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No