Information card for entry 4072978

Structure parameters

• Common name: 1-(1,12-dicarba-closo-dodecaboran-2-yl)carbazole
• Formula: C14 H19 B10 N
• Calculated formula: C14 H19 B10 N
• SMILES: n1(c2ccccc2c2ccccc12)[B]1234[CH]567[BH]891[BH]1%105[BH]5%116[BH]627[BH]27%11[CH]%11%12%13[BH]38([BH]91%11[BH]%1052%12)[BH]467%13
• 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: 13.922 ± 0.004 Å
• b: 7.835 ± 0.002 Å
• c: 15.145 ± 0.004 Å
• α: 90°
• β: 90.42 ± 0.005°
• γ: 90°
• Cell volume: 1652 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No