Information card for entry 4100893

Structure parameters

• Formula: C24 H60 B12 O12
• Calculated formula: C24 H60 B12 O12
• SMILES: [B]1234(OCC)[B]567([B]891([B]1%10%11([B]%12%13%14([B]%15%161([B]1%17%12([B]2%15([B]39%11%16OCC)([B]47%17([B]5%131([B]68%10%14OCC)OCC)OCC)OCC)OCC)OCC)OCC)OCC)OCC)OCC
• 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: 16.8079 ± 0.0012 Å
• b: 16.8079 ± 0.0012 Å
• c: 11.5301 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2820.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No