Information card for entry 7058964

Structure parameters

• Formula: C16 H35 I N2 O4 Si
• Calculated formula: C15.997 H34.991 I N2 O4 Si
• Title of publication: Bifunctional silanol-based HBD catalysts for CO2 fixation into cyclic carbonates
• Authors of publication: Perez-Perez, Jovana; Hernández-Balderas, Uvaldo; Martínez-Otero, Diego; Jancik, Vojtech
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 47
• Pages of publication: 18525 - 18533
• a: 11.911 ± 0.0002 Å
• b: 12.7103 ± 0.0002 Å
• c: 15.0672 ± 0.0002 Å
• α: 90°
• β: 105.425 ± 0.0009°
• γ: 90°
• Cell volume: 2198.9 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.339
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No