Information card for entry 7150027

Structure parameters

• Formula: C48 H58 N2 O8
• Calculated formula: C48 H58 N2 O8
• Title of publication: 1,3-Alternate calix[4]arenes, selectively functionalized by amino groups.
• Authors of publication: Danila, Crenguta; Bolte, Michael; Böhmer, Volker
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 1
• Pages of publication: 172 - 184
• a: 10.3423 ± 0.0007 Å
• b: 13.161 ± 0.0009 Å
• c: 16.5605 ± 0.0011 Å
• α: 101.868 ± 0.005°
• β: 96.988 ± 0.005°
• γ: 91.968 ± 0.005°
• Cell volume: 2185.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No