Information card for entry 4100894

Structure parameters

• Formula: C84 H72 B12 F12 O12
• Calculated formula: C84 H72 B12 F12 O12
• SMILES: [B]1234([B]567(OCc8ccc(F)cc8)[B]892([B]2%101([B]1%113(OCc3ccc(F)cc3)[B]3%12%13([B]%14%15%16([B]82(OCc2ccc(F)cc2)([B]%101%12%15OCc1ccc(F)cc1)[B]69%16([B]53%14([B]47%11%13OCc1ccc(F)cc1)OCc1ccc(F)cc1)OCc1ccc(F)cc1)OCc1ccc(F)cc1)OCc1ccc(F)cc1)OCc1ccc(F)cc1)OCc1ccc(F)cc1)OCc1ccc(F)cc1
• Title of publication: Dodecaalkoxy dodecaboranes: Synthesis of Stable Derivatives of hypercloso-B12H12
• Authors of publication: Farha, Omar K.; Julius, Richard L.; Lee, Mark W.; Huertas, Ramon E.; Knobler, Carolyn B.; Hawthorne, M. Frederick
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 27.473 ± 0.003 Å
• b: 27.473 ± 0.003 Å
• c: 9.143 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5976.2 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No