Information card for entry 4501940

Structure parameters

• Common name: C-Hexylresorcinarene complex with t-butanol
• Formula: C70 H117 O12.5
• Calculated formula: C70 H117 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: 15.1627 ± 0.0018 Å
• b: 15.7027 ± 0.0018 Å
• c: 17.246 ± 0.002 Å
• α: 111.205 ± 0.002°
• β: 100.202 ± 0.002°
• γ: 102.036 ± 0.002°
• Cell volume: 3597.5 ± 0.7 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: 0.1301
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No