Information card for entry 7720293

Structure parameters

• Formula: C36 H54 Ti
• Calculated formula: C36 H54 Ti
• Title of publication: Expanding the Reactivity of Rosenthal's Reagent to Cyclopropenes and Allenes
• Authors of publication: Eilers, Marcel; Geik, Dennis; Schmidtmann, Marc; Doye, Sven; Beckhaus, Ruediger
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 16.242 ± 0.0014 Å
• b: 11.5573 ± 0.0011 Å
• c: 32.294 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6062 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2104
• Weighted residual factors for all reflections included in the refinement: 0.2163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No