Information card for entry 1569384

Structure parameters

• Formula: C110 H118 B2 F48 N12 O P2
• Calculated formula: C110 H118 B2 F48 N12 O P2
• 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: 13.7117 ± 0.0005 Å
• b: 16.9823 ± 0.0009 Å
• c: 29.5424 ± 0.0008 Å
• α: 74.076 ± 0.003°
• β: 82.009 ± 0.003°
• γ: 67.187 ± 0.004°
• Cell volume: 6093.5 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No