Information card for entry 4024377

Structure parameters

• Formula: C17 H25 B O3
• Calculated formula: C17 H25 B O3
• SMILES: O=C(CCCCC)c1ccc(B2OCC(CO2)(C)C)cc1
• Title of publication: A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations
• Authors of publication: Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 2080 - 2087
• a: 6.65 ± 0.0002 Å
• b: 11.3864 ± 0.0003 Å
• c: 11.6666 ± 0.0003 Å
• α: 113.84 ± 0.002°
• β: 92.775 ± 0.001°
• γ: 93.205 ± 0.002°
• Cell volume: 804.31 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No