Information card for entry 7118628

Structure parameters

• Formula: C26 H25 B2 N2 P
• Calculated formula: C26 H25 B2 N2 P
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[N]([BH2]C#N)#C[BH3]
• Title of publication: Exploiting hydrophobic borohydride-rich ionic liquids as faster-igniting rocket fuels.
• Authors of publication: Liu, Tianlin; Qi, Xiujuan; Huang, Shi; Jiang, Linhai; Li, Jianling; Tang, Chenglong; Zhang, Qinghua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2031 - 2034
• a: 9.818 ± 0.0006 Å
• b: 18.2883 ± 0.0013 Å
• c: 13.7042 ± 0.0007 Å
• α: 90°
• β: 97.628 ± 0.005°
• γ: 90°
• Cell volume: 2438.9 ± 0.3 ų
• Cell temperature: 285.07 ± 0.1 K
• Ambient diffraction temperature: 285.07 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.1777
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No