Information card for entry 7013607

Structure parameters

• Formula: C32 H36 O2
• Calculated formula: C32 H36 O2
• 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: 8.2956 ± 0.0002 Å
• b: 10.0981 ± 0.0003 Å
• c: 15.7158 ± 0.0006 Å
• α: 102.331 ± 0.0011°
• β: 93.1236 ± 0.0011°
• γ: 91.625 ± 0.002°
• Cell volume: 1283.15 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No