Information card for entry 4129445

Structure parameters

• Formula: C35 H70 B F4 N9 P2
• Calculated formula: C35 H70 B F4 N9 P2
• SMILES: P(N1CCCCC1)(=NC(=N\[P+](N1CCCCC1)(N1CCCCC1)N1CCCCC1)/NCCCC)(N1CCCCC1)N1CCCCC1.[B](F)(F)(F)[F-]
• Title of publication: Higher-Order Cyclopropenimine Superbases: Direct Neutral Brønsted Base Catalyzed Michael Reactions with α-Aryl Esters.
• Authors of publication: Nacsa, Eric D.; Lambert, Tristan H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 32
• Pages of publication: 10246 - 10253
• a: 10.006 ± 0.006 Å
• b: 19.052 ± 0.012 Å
• c: 22.705 ± 0.013 Å
• α: 88.313 ± 0.011°
• β: 87.571 ± 0.008°
• γ: 77.915 ± 0.007°
• Cell volume: 4228 ± 4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.2102
• Residual factor for significantly intense reflections: 0.1285
• Weighted residual factors for significantly intense reflections: 0.3451
• Weighted residual factors for all reflections included in the refinement: 0.3835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No