Information card for entry 4023838

Structure parameters

• Formula: C22 H38 O6
• Calculated formula: C22 H38 O6
• SMILES: O1C[C@@H](O)C=C[C@H]1OCCCCCCCCCCCCO[C@@H]1OC[C@@H](O)C=C1
• Title of publication: Synthesis and Self-Assembly of Glycal-Based Bolaforms
• Authors of publication: Joseph J. Bozell; Nathan C. Tice; Nibedita Sanyal; David Thompson; Jong-Mok Kim; Sébastien Vidal
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 8763 - 8771
• a: 4.7057 ± 0.0006 Å
• b: 5.5719 ± 0.0007 Å
• c: 20.726 ± 0.003 Å
• α: 88.634 ± 0.008°
• β: 85.795 ± 0.009°
• γ: 76.963 ± 0.008°
• Cell volume: 527.97 ± 0.11 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No