Information card for entry 7230949

Structure parameters

• Formula: C16 H36 B11 I N2 O
• Calculated formula: C16 H36 B11 I N2 O
• Title of publication: Efficient access to amides of the carborane carboxylic acid [1-(COOH)‒CB11H11]−
• Authors of publication: Shen, Yunjun; Zheng, Kai; Dontha, Rakesh; Pan, Yani; Liu, Jiyong; Duttwyler, Simon
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 40
• Pages of publication: 22447
• a: 9.1861 ± 0.0005 Å
• b: 11.3166 ± 0.0006 Å
• c: 13.6234 ± 0.0006 Å
• α: 71.718 ± 0.003°
• β: 83.92 ± 0.004°
• γ: 72.759 ± 0.004°
• Cell volume: 1284.19 ± 0.12 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.01 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No