Information card for entry 4310929

Structure parameters

• Formula: C120 H145 O10 P2
• Calculated formula: C120 H145 O10 P2
• Title of publication: Phosphorus-Based p-tert-Butylcalix[5]arene Ligands
• Authors of publication: Paul Sood; Mohan Koutha; Maomian Fan; Yaroslav Klichko; Hongming Zhang; Michael Lattman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2975 - 2980
• a: 13.744 ± 0.001 Å
• b: 17.404 ± 0.001 Å
• c: 21.924 ± 0.002 Å
• α: 89.395 ± 0.001°
• β: 84.826 ± 0.001°
• γ: 83.546 ± 0.001°
• Cell volume: 5189.8 ± 0.7 ų
• Cell temperature: 473 ± 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: 0.125
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No