Information card for entry 4023062

Structure parameters

• Common name: Paquette 1422
• Formula: C24 H38 O6
• Calculated formula: C24 H38 O6
• Title of publication: X-ray Crystallographic and Mass Spectrometric Probing of the Conformational and Ionophoric Properties of Stereoisomeric Hexatetrahydrofuranylhexane Segments
• Authors of publication: David G. Hilmey; Barry D. Davis; Judith C. Gallucci; Jennifer S. Brodbelt; Leo A. Paquette
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 9088 - 9101
• a: 10.6475 ± 0.001 Å
• b: 8.5764 ± 0.001 Å
• c: 12.78 ± 0.002 Å
• α: 90°
• β: 113.614 ± 0.007°
• γ: 90°
• Cell volume: 1069.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No