Information card for entry 4503358

Structure parameters

• Common name: t-Bu-Calix[4]arene *0.54Xenon
• Formula: C44 H56 O4 Xe0.54
• Calculated formula: C44 H56 O4 Xe0.54
• Title of publication: Guest Loading and Multiple Phases in Single Crystals of the van der Waals Hostp-tert-Butylcalix[4]arene
• Authors of publication: Brouwer, Darren H.; Moudrakovski, Igor L.; Udachin, Kostantin A.; Enright, Gary D.; Ripmeester, John A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 1878
• a: 12.547 ± 0.003 Å
• b: 25.625 ± 0.005 Å
• c: 12.646 ± 0.003 Å
• α: 90°
• β: 90.13 ± 0.03°
• γ: 90°
• Cell volume: 4065.9 ± 1.6 ų
• Cell temperature: 100.1 ± 1 K
• Ambient diffraction temperature: 100.1 ± 1 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.2114
• Residual factor for significantly intense reflections: 0.1745
• Weighted residual factors for significantly intense reflections: 0.4194
• Weighted residual factors for all reflections included in the refinement: 0.4458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.661
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No