Information card for entry 7013600

Structure parameters

• Formula: C28 H31 Cl O Ti
• Calculated formula: C28 H31 Cl O Ti
• Title of publication: Synthesis, stereochemistry, bonding and fluxionality of 2-(inden-3-yl)phenols and their cyclopentadienyl titanium derivatives
• Authors of publication: Luke E. Turner; Matthew G. Thorn; R. D. Swartz II; Robert W. Chesnut; Phillip E. Fanwick; Ian P. Rothwell
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4580 - 4589
• a: 9.5121 ± 0.0004 Å
• b: 14.37 ± 0.0005 Å
• c: 18.6606 ± 0.0007 Å
• α: 80.576 ± 0.002°
• β: 84.7992 ± 0.0019°
• γ: 86.5059 ± 0.0012°
• Cell volume: 2503.15 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No