Information card for entry 7055822

Structure parameters

• Chemical name: p-t-butylcalix[4]arene
• Formula: C51 H64 O4
• Calculated formula: C51 H64 O4
• Title of publication: Synthesis, luminescence, and electrochemical studies of tetra- and octanuclear ruthenium(ii) complexes of tolylterpyridine appended calixarenes
• Authors of publication: Senthan, Selvam Amudhan; Alexander, Vedamanickam
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 10064
• a: 12.754 ± 0.005 Å
• b: 12.754 ± 0.005 Å
• c: 13.787 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2242.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No