Information card for entry 4072174

Structure parameters

• Formula: C4 H15 B10 N O
• Calculated formula: C4 H15 B10 N O
• SMILES: O=C(N[B]1234[BH]567[CH]89%10[BH]%11%12%13[BH]%1458[CH]58%12[BH]27%14[BH]248[BH]473[BH]169[BH]%10%114[BH]%13527)C
• Title of publication: Catalytic Amidation of 9-Iodo-m-carborane and 2-Iodo-p-carborane at a Boron Atom
• Authors of publication: Mukhin, Sergey N.; Kabytaev, Kuanysh Z.; Zhigareva, Galina G.; Glukhov, Ivan V.; Starikova, Zoya A.; Bregadze, Vladimir I.; Beletskaya, Irina P.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5937
• a: 8.8115 ± 0.0009 Å
• b: 10.4327 ± 0.001 Å
• c: 12.6598 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1163.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No