Information card for entry 4072981

Structure parameters

• Common name: 2-hydroxy-1,12-dicarba-closo-dodecaborane
• Formula: C2 H12 B10 O
• Calculated formula: C2 H12 B10 O
• SMILES: O[B]1234[CH]567[BH]891[BH]1%105[BH]5%116[BH]627[BH]27%11[BH]%11%105[BH]591[BH]138[BH]462[CH]7%1151
• Title of publication: Palladium-Catalyzed Amination of 2-Iodo-para-carborane
• Authors of publication: Beletskaya, Irina P.; Bregadze, Vladimir I.; Kabytaev, Kuanysh Z.; Zhigareva, Galina G.; Petrovskii, Pavel V.; Glukhov, Ivan V.; Starikova, Zoya A.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 9
• Pages of publication: 2340
• a: 24.445 ± 0.002 Å
• b: 13.3462 ± 0.0012 Å
• c: 23.753 ± 0.002 Å
• α: 90°
• β: 104.829 ± 0.002°
• γ: 90°
• Cell volume: 7491.3 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1287
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No