Information card for entry 7048727

Structure parameters

• Formula: C18 H30 B10 N2 O2
• Calculated formula: C18 H30 B10 N2 O2
• Title of publication: Synthesis, structure and DFT calculations of 1,2-N-substituted o-carboranes.
• Authors of publication: Pang, Ronglin; Li, Junxia; Cui, Zhongzheng; Zheng, Cheng; Li, Zhifang; Chen, Weifeng; Qi, Fan; Su, Li; Xiao, Xu-Qiong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 21
• Pages of publication: 7242 - 7248
• a: 26.797 ± 0.006 Å
• b: 7.6904 ± 0.0017 Å
• c: 11.398 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2348.9 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No