Information card for entry 7058966

Structure parameters

• Formula: C18 H39 I N2 O4 Si
• Calculated formula: C18 H39 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: 9.199 ± 0.0006 Å
• b: 10.1509 ± 0.0006 Å
• c: 13.4605 ± 0.0008 Å
• α: 90°
• β: 105.605 ± 0.001°
• γ: 90°
• Cell volume: 1210.58 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No