Information card for entry 1569385

Structure parameters

• Formula: C55 H75 N6 P
• Calculated formula: C55 H75 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: 27.9781 ± 0.0006 Å
• b: 12.6688 ± 0.0003 Å
• c: 28.6912 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10169.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1602
• Weighted residual factors for all reflections included in the refinement: 0.1679
• 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