Information card for entry 4024348

Structure parameters

• Formula: C8 H14 B N
• Calculated formula: C8 H14 B N
• SMILES: [B](C)(C)([n]1ccccc1)C
• Title of publication: 1-Pyridine- and 1-Quinuclidine-1-boraadamantane as Models for Derivatives of 1-Borabicyclo[2.2.2]octane. Experimental and Theoretical Evaluation of the B-N Fragment as a Polar Isosteric Substitution for the C-C Group in Liquid Crystal Compounds
• Authors of publication: Piotr Kaszynski; Serhii Pakhomov; Mikhail E. Gurskii; Sergey Yu. Erdyakov; Zoya A. Starikova; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Victor G. Young; Yurii N. Bubnov
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 1709 - 1720
• a: 6.9875 ± 0.001 Å
• b: 15.011 ± 0.002 Å
• c: 16.556 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1736.5 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No