Information card for entry 1574869

Structure parameters

• Formula: C80 H84 B F26 N4 Na O5 Si2
• Calculated formula: C80 H84 B F26 N4 Na O5 Si2
• Title of publication: Multifunctional chiral silanol ligands for enantioselective catalysis.
• Authors of publication: Chang, Yun-Pu; Blanco-Herrero, Kevin; Alturaifi, Turki M.; Fettinger, James C.; Liu, Peng; Franz, Annaliese K.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 30
• Pages of publication: 13678 - 13683
• a: 12.8653 ± 0.0014 Å
• b: 12.9386 ± 0.0014 Å
• c: 14.2525 ± 0.0016 Å
• α: 76.0784 ± 0.0015°
• β: 80.3071 ± 0.0016°
• γ: 65.8644 ± 0.0015°
• Cell volume: 2094.9 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No