Information card for entry 4021339

Structure parameters

• Formula: C5 H16 B10
• Calculated formula: C5 H16 B10
• SMILES: [C]1234([CH]567[BH]892[BH]2%101[BH]1%113[BH]345[BH]457[BH]769[BH]68%10[BH]821[BH]%1134[BH]5768)C1CC1
• 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: 20.073 ± 0.003 Å
• b: 7.843 ± 0.001 Å
• c: 7.27 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1144.6 ± 0.3 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No