Information card for entry 4123323

Structure parameters

• Formula: C65 H60 O2 Si
• Calculated formula: C65 H60 O2 Si
• Title of publication: η(6)-Cycloparaphenylene Transition Metal Complexes: Synthesis, Structure, Photophysical Properties, and Application to the Selective Monofunctionalization of Cycloparaphenylenes.
• Authors of publication: Kubota, Natsumi; Segawa, Yasutomo; Itami, Kenichiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 3
• Pages of publication: 1356 - 1361
• a: 8.186 ± 0.003 Å
• b: 21.052 ± 0.009 Å
• c: 30.938 ± 0.013 Å
• α: 90.588 ± 0.009°
• β: 92.396 ± 0.008°
• γ: 90.067 ± 0.009°
• Cell volume: 5327 ± 4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2297
• Residual factor for significantly intense reflections: 0.1772
• Weighted residual factors for significantly intense reflections: 0.4452
• Weighted residual factors for all reflections included in the refinement: 0.4715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.675
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No