Information card for entry 4072980

Structure parameters

• Common name: 1-(1,12-dicarba-closo-dodecaboran-2-yl)indole
• Formula: C10 H17 B10 N
• Calculated formula: C10 H17 B10 N
• SMILES: n1([B]2345[BH]678[BH]9%10%11[BH]%12%13%14[BH]%152([BH]2%16%13[BH]%13%10%12[BH]%1079[BH]736[BH]4%152[CH]%16%13%107)[CH]58%11%14)ccc2ccccc12
• 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: 9.8337 ± 0.0019 Å
• b: 13.4674 ± 0.0018 Å
• c: 10.802 ± 0.002 Å
• α: 90°
• β: 90.274 ± 0.003°
• γ: 90°
• Cell volume: 1430.5 ± 0.4 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: 0.0669
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No