Information card for entry 4501941

Structure parameters

• Common name: C-Butylresorcinarene complex with t-butanol and methanol
• Formula: C76 H130 O13
• Calculated formula: C76 H129.97 O13
• 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: 15.2662 ± 0.0012 Å
• b: 15.6752 ± 0.0012 Å
• c: 18.679 ± 0.0015 Å
• α: 113.115 ± 0.001°
• β: 100.775 ± 0.001°
• γ: 101.843 ± 0.001°
• Cell volume: 3841.7 ± 0.5 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: 0.196
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.2597
• Weighted residual factors for all reflections included in the refinement: 0.3333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No