Information card for entry 1552448

Structure parameters

• Formula: C33 H39 N2 P3
• Calculated formula: C33 H39 N2 P3
• SMILES: c12p[p-]pc2n(c([n+]1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C
• 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: 10.5947 ± 0.0008 Å
• b: 16.2615 ± 0.0008 Å
• c: 17.8991 ± 0.0013 Å
• α: 90°
• β: 97.414 ± 0.007°
• γ: 90°
• Cell volume: 3058 ± 0.4 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No