Information card for entry 7153794

Structure parameters

• Formula: C5 H10 F6 N5 P
• Calculated formula: C5 H10 F6 N5 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[N+]1(=C(N(CC1)C)N=N#N)C
• Title of publication: A reagent for safe and efficient diazo-transfer to primary amines: 2-azido-1,3-dimethylimidazolinium hexafluorophosphate.
• Authors of publication: Kitamura, Mitsuru; Kato, So; Yano, Masakazu; Tashiro, Norifumi; Shiratake, Yuichiro; Sando, Mitsuyoshi; Okauchi, Tatsuo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 25
• Pages of publication: 4397 - 4406
• a: 8.103 ± 0.008 Å
• b: 12.083 ± 0.012 Å
• c: 11.663 ± 0.011 Å
• α: 90°
• β: 101.473 ± 0.008°
• γ: 90°
• Cell volume: 1119.1 ± 1.9 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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 significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.4401
• Goodness-of-fit parameter for all reflections included in the refinement: 3.752
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No