Information card for entry 4307481

Structure parameters

• Formula: C20 H24 I3 N2 P
• Calculated formula: C20 H24 I3 N2 P
• SMILES: c1c[n+](pn1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[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: 21.647 ± 0.004 Å
• b: 7.5469 ± 0.0015 Å
• c: 16.488 ± 0.003 Å
• α: 90°
• β: 112.69 ± 0.03°
• γ: 90°
• Cell volume: 2485.1 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No