Information card for entry 7019948

Structure parameters

• Formula: C137 H168 N20 O13
• Calculated formula: C137 H166 N20 O13
• Title of publication: Ratiometric fluorescence off-on-off sensor for Cu(2+) in aqueous buffer by a lower rim triazole linked benzimidazole conjugate of calix[4]arene.
• Authors of publication: Pathak, Rakesh Kumar; Hinge, Vijaya Kumar; Mondal, Prasenjit; Rao, Chebrolu Pulla
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 35
• Pages of publication: 10652 - 10660
• a: 11.761 ± 0.0003 Å
• b: 12.6977 ± 0.0004 Å
• c: 25.9287 ± 0.0006 Å
• α: 81.698 ± 0.002°
• β: 83.283 ± 0.002°
• γ: 64.155 ± 0.003°
• Cell volume: 3441.96 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1277
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.2111
• Weighted residual factors for all reflections included in the refinement: 0.2269
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No