Information card for entry 4116370

Structure parameters

• Common name: Bicubyl
• Chemical name: Cubylcubane
• Formula: C16 H14
• Calculated formula: C16 H14
• SMILES: C12(C3C4C5C(C14)C2C35)C12C3C4C5C3C1C5C24
• Title of publication: Building with Cubane-1,4-diyl. Synthesis of Aryl-Substituted Cubanes, p-[n]Cubyls, and Cubane-Separated Bis(arenes)1
• Authors of publication: Eaton, Philip E.; Pramod, Kakumanu; Emrick, Todd; Gilardi, Richard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Journal issue: 17
• Pages of publication: 4111 - 4123
• a: 16.24 ± 0.004 Å
• b: 6.2157 ± 0.0012 Å
• c: 10.289 ± 0.002 Å
• α: 90°
• β: 99.23 ± 0.02°
• γ: 90°
• Cell volume: 1025.2 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 2
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections: 0.1199
• Weighted residual factors for significantly intense reflections: 0.1046
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for significantly intense reflections: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No