Information card for entry 8106518

Structure parameters

• Common name: tetraethylphenylresorcin[4]arene
• Formula: C68 H72 O10
• Calculated formula: C68 H72 O10
• Title of publication: Crystal structure of 4,10,16,22-tetrahydroxy-6,12,18,24-tetramethoxy-2,8,14,20-tetraethylphenylresorcin[4]arene – ethyl acetate (1/1), C68H72O10
• Authors of publication: Samipillai, Marivel; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 2
• Pages of publication: 305 - 307
• a: 13.3619 ± 0.0004 Å
• b: 13.9234 ± 0.0004 Å
• c: 16.6975 ± 0.0005 Å
• α: 96.023 ± 0.002°
• β: 104.537 ± 0.001°
• γ: 105.625 ± 0.001°
• Cell volume: 2845.85 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No