Information card for entry 7151209

Structure parameters

• Common name: tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.5(pyridine) clathrate
• Chemical name: tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.5(pyridine) clathrate
• Formula: C87 H69 N5 O4
• Calculated formula: C87 H64 N5 O4
• Title of publication: Inclusion of volatile guests by a tetrapedal host: structure and kinetics.
• Authors of publication: Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 12
• Pages of publication: 2452 - 2457
• a: 14.0976 ± 0.0002 Å
• b: 16.7074 ± 0.0002 Å
• c: 17.3826 ± 0.0003 Å
• α: 63.05 ± 0.001°
• β: 87.506 ± 0.001°
• γ: 70.95 ± 0.001°
• Cell volume: 3423.12 ± 0.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.1343
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No