Information card for entry 7712756

Structure parameters

• Formula: C38 H Cl F30 O2 Si
• Calculated formula: C38 H Cl F30 O2 Si
• Title of publication: An Investigation into the Brønsted Acidity of the Perfluorinated Alkoxy Silanes {(F3C)3CO}3SiH and {(F6C5)3CO}2Si(Cl)H
• Authors of publication: Feige, Felix; Malaspina, Lorraine A.; Kleemiss, Florian; Kögel, Julius F.; Ketkov, Sergey Yu.; Hupf, Emanuel; Grabowsky, Simon; Beckmann, Jens
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 13.2008 ± 0.0004 Å
• b: 14.2304 ± 0.0004 Å
• c: 20.1079 ± 0.0006 Å
• α: 90°
• β: 103.871 ± 0.001°
• γ: 90°
• Cell volume: 3667.17 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.92 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.0369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0732
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No