Information card for entry 1552452

Structure parameters

• Formula: C50.5 H56 N3 O5 P3 W
• Calculated formula: C50.5 H56 N3 O5 P3 W
• SMILES: C1(=[N+](C2C(N1c1c(C(C)C)cccc1C(C)C)=PP(P=2)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])c1c(cccc1C(C)C)C(C)C)c1ccc(cc1)N(C)C.Cc1ccccc1.c1ccccc1C
• Title of publication: Direct functionalization of white phosphorus with anionic dicarbenes and mesoionic carbenes: Facile access to 1,2,3-triphosphol-2-ides
• Authors of publication: Ghadwal, Rajendra S.; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 12.086 ± 0.0002 Å
• b: 13.1486 ± 0.0002 Å
• c: 16.935 ± 0.0002 Å
• α: 106.161 ± 0.001°
• β: 98.487 ± 0.001°
• γ: 100.539 ± 0.001°
• Cell volume: 2484.48 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No