Information card for entry 4322693

Structure parameters

• Formula: C35 H51 Al O2
• Calculated formula: C35 H51 Al O2
• Title of publication: Heteroatom Derivatives of Cyclopentadienylaluminum: X-ray Crystal Structure of (η5-C5H5)(2,6-t-Bu-4-Me-C6H2O)2Al
• Authors of publication: James D. Fisher; Pamela J. Shapiro; P. M. H. Budzelaar; Richard J. Staples
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 1295 - 1298
• a: 15.487 ± 0.0006 Å
• b: 11.5404 ± 0.0005 Å
• c: 18.3294 ± 0.0007 Å
• α: 90°
• β: 103.099 ± 0.001°
• γ: 90°
• Cell volume: 3190.7 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0973
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections: 0.1599
• Weighted residual factors for significantly intense reflections: 0.1489
• Goodness-of-fit parameter for all reflections: 1.182
• Goodness-of-fit parameter for significantly intense reflections: 1.233
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No