Information card for entry 7032157

Structure parameters

• Formula: C28 H32 B F3 N O3 P S
• Calculated formula: C28 H32 B F3 N O3 P S
• SMILES: C12CCCC(CCC1)B2N(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Phosphinimine-substituted boranes and borenium ions.
• Authors of publication: Holthausen, Michael H.; Mallov, Ian; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 40
• Pages of publication: 15201 - 15211
• a: 13.6726 ± 0.0006 Å
• b: 13.0411 ± 0.0006 Å
• c: 15.1399 ± 0.0007 Å
• α: 90°
• β: 98.961 ± 0.002°
• γ: 90°
• Cell volume: 2666.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No