Information card for entry 4501944

Structure parameters

• Common name: C-Pentylresorcinarene complex with methanol
• Formula: C100 H144 O20
• Calculated formula: C100 H144 O20
• 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: 13.9179 ± 0.0014 Å
• b: 23.2095 ± 0.0014 Å
• c: 14.575 ± 0.001 Å
• α: 90°
• β: 90.126 ± 0.002°
• γ: 90°
• Cell volume: 4708.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No