Information card for entry 4108427

Structure parameters

• Chemical name: 18,18'-Di-n-hexyl[9,9']Bi[phenanthro[9,10-b]triphenylenyl]
• Formula: C75 H61
• Calculated formula: C75 H61
• Title of publication: 18,18'-Dihexyl[9,9']biphenanthro[9,10-b]triphenylene: Construction and Consequences of a Profoundly Hindered Aryl-Aryl Single Bond
• Authors of publication: Cameron L. Hilton; Jeremy M. Crowfoot; Pawel Rempala; Benjamin T. King
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 13392 - 13399
• a: 8.9148 ± 0.0015 Å
• b: 13.982 ± 0.002 Å
• c: 21.42 ± 0.004 Å
• α: 104.888 ± 0.003°
• β: 96.43 ± 0.003°
• γ: 94.489 ± 0.003°
• Cell volume: 2548.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No