Information card for entry 4024093

Structure parameters

• Common name: Paquette 1451
• Formula: C15 H18 N4 O6
• Calculated formula: C15 H18 N4 O6
• Title of publication: Synthesis of, and Structural Assignments to the Stereoisomers of Bis (2,2')- and Tris (2,2',2' ')-Tetrahydrofurans: Conformational Features and Ionic Binding Capacities of These Gateway Polycyclic Networks
• Authors of publication: Emel Adaligil; Barry D. Davis; David G. Hilmey; Young Shen; Jason M. Spruell; Jennifer S. Brodbelt; K. N. Houk; Leo A. Paquette
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 6215 - 6223
• a: 10.342 ± 0.001 Å
• b: 7.731 ± 0.001 Å
• c: 20.344 ± 0.003 Å
• α: 90°
• β: 100.453 ± 0.001°
• γ: 90°
• Cell volume: 1599.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No