Information card for entry 4501937

Structure parameters

• Common name: C-Propylresorcinarene complex with t-butanol
• Formula: C58 H93 O12.5
• Calculated formula: C58 H93 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: 15.1886 ± 0.0008 Å
• b: 15.5624 ± 0.0008 Å
• c: 15.9778 ± 0.0014 Å
• α: 104.897 ± 0.001°
• β: 113.095 ± 0.001°
• γ: 105.025 ± 0.001°
• Cell volume: 3069.5 ± 0.4 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 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: 0.0831
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1546
• 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