Information card for entry 7002853

Structure parameters

• Formula: C50.5 H72 F3 N O6 S Ti
• Calculated formula: C50.5 H72 F3 N O6 S Ti
• Title of publication: An enantiopure pseudo-C3-symmetric titanium triflate with propeller-like chirality as a catalyst for asymmetric sulfoxidation reactions
• Authors of publication: Axe, Philip; Bull, Steven D.; Davidson, Matthew G.; Jones, Matthew D.; Robinson, Diane E. J. E.; Mitchell, William L.; Warren, John E.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 46
• Pages of publication: 10169 - 10171
• a: 14.744 ± 0.0007 Å
• b: 14.744 ± 0.0007 Å
• c: 25.171 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5471.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.6942 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No