Information card for entry 4075376

Structure parameters

• Formula: C29 H18
• Calculated formula: C29 H18
• SMILES: C1c2c(c3c1c1c(c4c3cccc4)cccc1)c1c(c3c2cccc3)cccc1
• Title of publication: Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes
• Authors of publication: Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 3824
• a: 18.4562 ± 0.0014 Å
• b: 5.0962 ± 0.0002 Å
• c: 19.1459 ± 0.0016 Å
• α: 90°
• β: 91.022 ± 0.009°
• γ: 90°
• Cell volume: 1800.5 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 2
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No