Information card for entry 1551850

Structure parameters

• Formula: C11 H12 B11 Cl11 O
• Calculated formula: C11 H12 B11 Cl11 O
• SMILES: Cl[B]1234[CH]567[B]891(Cl)[B]1%105(Cl)[B]5%116(Cl)[B]627(Cl)[B]27%11(Cl)[B]%11%105(Cl)[B]591(Cl)[B]138(Cl)[B]462(Cl)[B]7%1151Cl.[O+]#Cc1c(cc(cc1C)C)C
• Title of publication: A two-coordinate boron cation featuring C-B±C bonding
• Authors of publication: Yoshiaki Shoji; Naoki Tanaka; Koichiro Mikami; Masanobu Uchiyama; Takanori Fukushima
• Journal of publication: Nature Chemistry
• Year of publication: 2014
• Journal volume: 6
• Pages of publication: 498 - 503
• a: 9.2943 ± 0.0013 Å
• b: 10.468 ± 0.0014 Å
• c: 14.361 ± 0.002 Å
• α: 94.572 ± 0.0016°
• β: 95.238 ± 0.0018°
• γ: 103.789 ± 0.0015°
• Cell volume: 1343.8 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No