Information card for entry 1569381

Structure parameters

• Formula: C23 H47 I2 N6 P
• Calculated formula: C23 H47 I2 N6 P
• Title of publication: Terminal methylene phosphonium ions: precursors for transient monosubstituted phosphinocarbenes.
• Authors of publication: Löwe, Pawel; Wünsche, Marius A; Purtscher, Felix R. S.; Gamper, Jakob; Hofer, Thomas S.; Wilm, Lukas F. B.; Röthel, Maike B; Dielmann, Fabian
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 29
• Pages of publication: 7928 - 7935
• a: 9.5526 ± 0.0003 Å
• b: 12.6149 ± 0.0005 Å
• c: 14.1053 ± 0.0005 Å
• α: 106.682 ± 0.002°
• β: 106.508 ± 0.002°
• γ: 103.779 ± 0.002°
• Cell volume: 1463.45 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0373
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No