Information card for entry 4021340

Structure parameters

• Formula: C12 H22 B10 O
• Calculated formula: C12 H22 B10 O
• SMILES: OC([C]1234[C]567(C8CC8)[BH]891[BH]1%105[BH]5%116[BH]627[BH]27%11[BH]%11%105[BH]591[BH]138[BH]462[BH]7%1151)c1ccccc1
• Title of publication: Most Stable Conformation of the Cyclopropane Ring Attached at a Carbon Atom in a 1,2-Dicarba-closo-dodecaborane(12) System
• Authors of publication: Motonori Tsuji
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 4063 - 4074
• a: 8.081 ± 0.001 Å
• b: 8.226 ± 0.001 Å
• c: 14.511 ± 0.002 Å
• α: 106.021 ± 0.002°
• β: 90.749 ± 0.002°
• γ: 114.761 ± 0.002°
• Cell volume: 832.7 ± 0.2 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No