Information card for entry 1569386

Structure parameters

• Formula: C55 H73 N6 P
• Calculated formula: C55 H73 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: 12.9765 ± 0.0002 Å
• b: 20.2016 ± 0.0004 Å
• c: 20.259 ± 0.0004 Å
• α: 90°
• β: 104.944 ± 0.001°
• γ: 90°
• Cell volume: 5131.2 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No