Information card for entry 4105086

Structure parameters

• Formula: C17 H26 B N O2
• Calculated formula: C17 H26 B N O2
• SMILES: O1[B]2(OC(C1(C)C)(C)C)[N](Cc1c2cc(cc1)C=C)(C)C
• Title of publication: Polymeric Monosaccharide Receptors Responsive at Neutral pH
• Authors of publication: Kyoung Taek Kim; Jeroen J. L. M. Cornelissen; Roeland J. M. Nolte; Jan C. M. van Hest
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 13908 - 13909
• a: 7.5161 ± 0.0005 Å
• b: 10.3189 ± 0.0005 Å
• c: 10.7196 ± 0.0008 Å
• α: 90°
• β: 89.877 ± 0.006°
• γ: 90°
• Cell volume: 831.39 ± 0.09 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections: 1.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No