Information card for entry 4307483

Structure parameters

• Formula: C14 H24 I3 N2 P
• Calculated formula: C14 H24 I3 N2 P
• SMILES: c1c[n+](pn1C1CCCCC1)C1CCCCC1.I[I-]I
• Title of publication: One-Step Redox Route to N-Heterocyclic Phosphenium Ions
• Authors of publication: Gregor Reeske; Alan H. Cowley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1426 - 1430
• a: 13.817 ± 0.005 Å
• b: 17.943 ± 0.005 Å
• c: 18.382 ± 0.005 Å
• α: 82.75 ± 0.005°
• β: 68.21 ± 0.005°
• γ: 70.13 ± 0.005°
• Cell volume: 3980 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No