Information card for entry 7720290

Structure parameters

• Formula: C30 H30 Ti
• Calculated formula: C30 H30 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: 16.1429 ± 0.0007 Å
• b: 16.6373 ± 0.0007 Å
• c: 16.9216 ± 0.0007 Å
• α: 90°
• β: 93.376 ± 0.0016°
• γ: 90°
• Cell volume: 4536.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No