Information card for entry 7013603

Structure parameters

• Formula: C26 H34 O
• Calculated formula: C26 H33 O
• 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: 41.2752 ± 0.0017 Å
• b: 6.1782 ± 0.0003 Å
• c: 18.8466 ± 0.001 Å
• α: 90°
• β: 112.707 ± 0.002°
• γ: 90°
• Cell volume: 4433.5 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No