Information card for entry 4029564

Structure parameters

• Formula: C12 H18 F6 N6 O2 P
• Calculated formula: C12 H18 F6 N6 O2 P
• SMILES: N1(N=N(c2ncccc12)=O)C(N(C)C)=[N+]1CCOCC1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Morpholine-based immonium and halogenoamidinium salts as coupling reagents in Peptide synthesis1.
• Authors of publication: El-Faham, Ayman; Albericio, Fernando
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2008
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 2731 - 2737
• a: 6.1372 ± 0.001 Å
• b: 22.607 ± 0.004 Å
• c: 12.0984 ± 0.0019 Å
• α: 90°
• β: 102.067 ± 0.009°
• γ: 90°
• Cell volume: 1641.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0888
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No