Information card for entry 7720298

Structure parameters

• Formula: C40 H34 Ti
• Calculated formula: C40 H34 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: 22.1525 ± 0.0004 Å
• b: 22.1525 ± 0.0004 Å
• c: 24.1648 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11858.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No