Information card for entry 7111671

Structure parameters

• Formula: C85 H98 N9 O7 Zn
• Calculated formula: C85 H95 N9 O7 Zn
• Title of publication: A lower rim triazole linked calix[4]arene conjugate as a fluorescence switch on sensor for Zn2+ in blood serum milieu
• Authors of publication: Pathak, Rakesh Kumar; Dikundwar, Amol G.; Row, Tayur N. Guru; Rao, Chebrolu Pulla
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 4345 - 4347
• a: 15.5813 ± 0.0006 Å
• b: 17.2524 ± 0.0005 Å
• c: 18.4381 ± 0.0006 Å
• α: 79.959 ± 0.003°
• β: 65.028 ± 0.004°
• γ: 76.432 ± 0.003°
• Cell volume: 4351.7 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.2011
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No