Information card for entry 4501936

Structure parameters

• Common name: Complex between C-Methylresorcinarene and t-butanol
• Formula: C50 H77 O12.5
• Calculated formula: C50 H77 O12.5
• Title of publication: Serendipity in the Crystallization of a Series of C-Alkylcalix[4]resorcinarenes from Alcoholic Solvents
• Authors of publication: Momose, Aaron Alexander; Bosch, Eric
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 4043
• a: 15.2339 ± 0.0008 Å
• b: 18.7155 ± 0.001 Å
• c: 18.5473 ± 0.001 Å
• α: 90°
• β: 98.166 ± 0.001°
• γ: 90°
• Cell volume: 5234.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No