Information card for entry 4087931

Structure parameters

• Formula: C12 H26 B20 N4
• Calculated formula: C12 H26 B20 N4
• Title of publication: Heterocyclic and Open-Chain Carboranes via Transition-Metal-Free C‒H Functionalization of Mono- and Diazine-N-oxides
• Authors of publication: Galliamova, Lidiia A.; Varaksin, Mikhail V.; Chupakhin, Oleg N.; Slepukhin, Pavel A.; Charushin, Valery N.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 21
• Pages of publication: 5285
• a: 10.9462 ± 0.0003 Å
• b: 15.2541 ± 0.0004 Å
• c: 15.0688 ± 0.0004 Å
• α: 90°
• β: 90.803 ± 0.002°
• γ: 90°
• Cell volume: 2515.86 ± 0.12 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No